Record Information |
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Version | 1.0 |
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Creation Date | 2016-06-03 12:34:48 UTC |
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Update Date | 2016-11-09 01:23:13 UTC |
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Accession Number | CHEM044795 |
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Identification |
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Common Name | perfluoro(5,8,9,12-tetramethyl-4,7,10,13-tetraoxahexadecane) |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Not Available |
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Chemical Formula | C16F34O4 |
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Average Molecular Mass | 902.118 g/mol |
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Monoisotopic Mass | 901.925 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | 1,1,1,2,2,3,3,5,6,6,8,9,11,11,12,14,14,15,15,16,16,16-docosafluoro-5,8,9,12-tetrakis(trifluoromethyl)-4,7,10,13-tetraoxahexadecane |
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Traditional Name | 1,1,1,2,2,3,3,5,6,6,8,9,11,11,12,14,14,15,15,16,16,16-docosafluoro-5,8,9,12-tetrakis(trifluoromethyl)-4,7,10,13-tetraoxahexadecane |
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SMILES | FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F |
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InChI Identifier | InChI=1S/C16F34O4/c17-1(18,7(25,26)27)13(43,44)53-5(23,11(37,38)39)15(47,48)51-3(21,9(31,32)33)4(22,10(34,35)36)52-16(49,50)6(24,12(40,41)42)54-14(45,46)2(19,20)8(28,29)30 |
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InChI Key | RBZLEAJAUHBDRO-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as organofluorides. Organofluorides are compounds containing a chemical bond between a carbon atom and a fluorine atom. |
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Kingdom | Organic compounds |
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Super Class | Organohalogen compounds |
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Class | Organofluorides |
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Sub Class | Not Available |
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Direct Parent | Organofluorides |
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Alternative Parents | |
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Substituents | - Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organofluoride
- Alkyl halide
- Alkyl fluoride
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0gb9-0900060766-c8930507759026be0949 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ue9-0202000039-9ed96e1bf2112661f57b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-0910000000-df55e68ca91fe5b06449 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 14573243 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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