1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one (CHEM117817)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 05:13:31 UTC | ||||||||
| Update Date | 2026-05-21 02:54:28 UTC | ||||||||
| Accession Number | CHEM117817 | ||||||||
| Identification | |||||||||
| Common Name | 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H15F7N2O3 | ||||||||
| Average Molecular Mass | 416.296 g/mol | ||||||||
| Monoisotopic Mass | 416.097 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2,2,3,3,4,4,4-heptafluorobutan-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(=O)N1CCN(CC2=CC=C3OCOC3=C2)CC1 | ||||||||
| InChI Identifier | InChI=1S/C16H15F7N2O3/c17-14(18,15(19,20)16(21,22)23)13(26)25-5-3-24(4-6-25)8-10-1-2-11-12(7-10)28-9-27-11/h1-2,7H,3-6,8-9H2 | ||||||||
| InChI Key | CEOUNYCXGKQTNL-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
