2-Chloro-1,1,1-trifluoroethane (CHEM004027)

Record Information
Version1.0
Creation Date2016-05-19 01:32:47 UTC
Update Date2026-08-22 09:32:15 UTC
Accession NumberCHEM004027
Identification
Common Name2-Chloro-1,1,1-trifluoroethane
ClassSmall Molecule
Description
2-Chloro-1,1,1-trifluoroethane, also known as 1,1,1-trifluoro-2-chloroethane or Freon 133a, is an alkyl halide belonging to the category of chlorofluorocarbons, having chemical formula F3C-CH2-Cl. Under standard conditions it appears as a colorless gas, partially soluble in water. It is used as a refrigerant, as a solvent and as a reagent in organic synthesis.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
Contaminant TypeNot Available
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
1,1,1-Trifluoro-2-chloroethaneMeSH
1-Chloro-2,2,2-trifluoroethaneMeSH
2-CTEMeSH
2-Chloro-1,1,1,-trifluoroethaneMeSH
FC-133aMeSH
Chemical FormulaC2H2ClF3
Average Molecular Mass118.480 g/mol
Monoisotopic Mass117.980 g/mol
CAS Registry Number75-88-7
IUPAC Name2-chloro-1,1,1-trifluoroethane
Traditional Name1,1,1-trifluoro-2-chloroethane
SMILESFC(F)(F)CCl
InChI IdentifierInChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
InChI KeyCYXIKYKBLDZZNW-UHFFFAOYSA-N
Chemical Taxonomy
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.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassOrganofluorides
Sub ClassNot Available
Direct ParentOrganofluorides
Alternative Parents
Substituents
  • Hydrocarbon derivative
  • Organofluoride
  • Organochloride
  • Alkyl halide
  • Alkyl fluoride
  • Alkyl chloride
  • 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 Solubility19 g/LALOGPS
logP1.82ALOGPS
logP1.79ChemAxon
logS-0.79ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity16.76 m³·mol⁻¹ChemAxon
Polarizability6.74 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
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
External Links
DrugBank IDNot Available
HMDB IDHMDB0245048
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia Link2-Chloro-1,1,1-trifluoroethane
Chemspider ID6168
ChEBI IDNot Available
PubChem Compound ID6408
Kegg Compound IDC19367
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References