Trifluorocrotonate
Basic information
- Standard SMILES
O=C([O-])/C=C/C(F)(F)F- InChIKey
QZBAYURFHCTXOJ-OWOJBTEDSA-M- Molecular formula
- C4H2F3O2-
- Average molar mass
- 139.05 g/mol
- Monoisotopic mass
- 139.00068879
Names & identifiers
- Preferred name
- Trifluorocrotonate
- IUPAC
- (E)-4,4,4-trifluorobut-2-enoate
Names & synonyms
trifluorocrotonateQZBAYURFHCTXOJ-OWOJBTEDSA-M
Database identifiers
- PubChem CID
- 7330441
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 130
Related reactions
1 records
Compound notes
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