Record Information
Version1.0
Creation Date2016-05-19 04:39:15 UTC
Update Date2016-11-09 01:15:06 UTC
Accession NumberCHEM014933
Identification
Common Name2,3,3,3-Tetrafluoropropene
ClassSmall Molecule
Description2,3,3,3-Tetrafluoropropene, HFO-1234yf, is a hydrofluoroolefin (HFO) with the formula CH2=CFCF3. It is also designated R-1234yf as the first of a new class of refrigerants: it is marketed under the name Opteon YF by Chemours and as Solstice YF by Honeywell.HFO-1234yf has a global warming potential (GWP) of less than 1, compared to 1,430 for R-134a and 1 for carbon dioxide. This colorless gas is being used as a replacement for R-134a as a refrigerant in automobile air conditioners. As of 2018, 50% of new vehicles from "original equipment manufacturers" (OEMs) are estimated to use HFO-1234yf.
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
HFO-1234YfMeSH
2,3,3,3-TetrafluoropropeneMeSH
Chemical FormulaC3H2F4
Average Molecular Mass114.043 g/mol
Monoisotopic Mass114.009 g/mol
CAS Registry Number754-12-1
IUPAC Name2,3,3,3-tetrafluoroprop-1-ene
Traditional Name2,3,3,3-tetrafluoropropene
SMILESFC(=C)C(F)(F)F
InChI IdentifierInChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2
InChI KeyFXRLMCRCYDHQFW-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as vinyl fluorides. These are vinyl halides in which a fluorine atom is bonded to an sp2-hybridised carbon atom.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassVinyl halides
Sub ClassVinyl fluorides
Direct ParentVinyl fluorides
Alternative Parents
Substituents
  • Fluoroalkene
  • Haloalkene
  • Vinyl fluoride
  • Hydrofluorocarbon
  • Hydrocarbon derivative
  • Organofluoride
  • Alkyl halide
  • Alkyl fluoride
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
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 Solubility0.53 g/LALOGPS
logP1.95ALOGPS
logP1.63ChemAxon
logS-2.3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity16.71 m³·mol⁻¹ChemAxon
Polarizability5.89 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-1900000000-416a71323c5a8ee988b2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-0900000000-6990d5ac861bc1d3de8fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-1556080be5b73166efc1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-fec25f7457623c007634Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-1900000000-4278841eaf2616c4cdcaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03dl-6900000000-2ffc17735569d214230fSpectrum
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 IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia Link2,3,3,3-Tetrafluoropropene
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID2776731
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available