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CFC-11 (CHEM004019)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 01:32:33 UTC
Update Date2016-10-28 10:01:04 UTC
Accession NumberCHEM004019
Identification
Common NameCFC-11
ClassSmall Molecule
DescriptionA one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom.
Contaminant Sources
  • Clean Air Act Chemicals
  • DEA Chemicals
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
CFC-11ChEBI
Eskimon 11ChEBI
FluorochloroformChEBI
FluorotrichloromethaneChEBI
Freon 11ChEBI
MonofluorotrichloromethaneChEBI
R-11ChEBI
Refrigerant 11ChEBI
TrichlorofluorocarbonChEBI
TrichloromonofluoromethaneChEBI
FC-11MeSH
Genetron 11MeSH
TrichlorofluoromethaneMeSH
Trichlorofluoromethane hydrateMeSH
Trichlorofluoromethane, (18)F-labeledMeSH
Chemical FormulaCCl3F
Average Molecular Mass137.360 g/mol
Monoisotopic Mass135.905 g/mol
CAS Registry Number75-69-4
IUPAC Nametrichloro(fluoro)methane
Traditional Nametrichlorofluoromethane
SMILESFC(Cl)(Cl)Cl
InChI IdentifierInChI=1S/CCl3F/c2-1(3,4)5
InChI KeyCYRMSUTZVYGINF-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as chlorofluorocarbons. These are alkyhalide compounds that are composed only of chlorine, fluorine, and carbon atoms.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassAlkyl halides
Sub ClassAlkyl chlorides
Direct ParentChlorofluorocarbons
Alternative Parents
Substituents
  • Chlorofluorocarbon
  • Halomethane
  • Hydrocarbon derivative
  • Organofluoride
  • Organochloride
  • Alkyl fluoride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility2.55 g/LALOGPS
logP2.25ALOGPS
logP2.71ChemAxon
logS-1.7ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.3 m³·mol⁻¹ChemAxon
Polarizability8.55 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0fri-0900000000-ef3d7b55570da87ccc84Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0900000000-5d9eb33be39ccea55f67Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-5d9eb33be39ccea55f67Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-0900000000-5d9eb33be39ccea55f67Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-5b54acb1fd434b312c2aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-5b54acb1fd434b312c2aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0900000000-5b54acb1fd434b312c2aSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0259173
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTrichlorofluoromethane
Chemspider ID6149
ChEBI ID48236
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=1114326
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24189105
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=5727092
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=8006631