Basic information
- Standard SMILES
O=C([O-])c1ccc(C(F)(F)F)cc1F- InChIKey
OCIYTBZXTFPSPI-UHFFFAOYSA-M- Molecular formula
- C8H3F4O2-
- Average molar mass
- 207.1 g/mol
- Monoisotopic mass
- 207.00691698
Names & identifiers
- Preferred name
- 2-Fluoro-4-(trifluoromethyl)benzoate
- IUPAC
- 2-fluoro-4-(trifluoromethyl)benzoate
Names & synonyms
2-fluoro-4-(trifluoromethyl)benzoateOCIYTBZXTFPSPI-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 6921607
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 220
Related reactions
1 records
Compound notes
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