3,3,3-Trifluoropropanoate
Basic information
- CAS
74123-20-9- Standard SMILES
O=C([O-])CC(F)(F)F- InChIKey
KSNKQSPJFRQSEI-UHFFFAOYSA-M- Molecular formula
- C3H2F3O2-
- Average molar mass
- 127.04 g/mol
- Monoisotopic mass
- 127.00068879
Names & identifiers
- Preferred name
- 3,3,3-Trifluoropropanoate
- IUPAC
- 3,3,3-trifluoropropanoate
- English name
- Trifluoromethylacetate
- Molecular formula
- C3H2F3O2-
- Molecular weight
- 127.0419896
Names & synonyms
3,3,3-trifluoropropanoate74123-20-9TRIFLUOROMETHYLACETATEDTXSID60426823AKOS024437801
Database identifiers
- CAS
74123-20-9- PubChem CID
- 7016352
- DTXSID
DTXSID60426823
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- -1
- Complexity
- 89.7
Physicochemical properties
- EPA Substance Registry System
- Trifluoromethyl acetate (74123-20-9)
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Compound notes
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