Basic information
- Standard SMILES
O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Oc1ccccc1- InChIKey
KERYVAFMTKKHDB-UHFFFAOYSA-N- Molecular formula
- C22H14F6O3
- Average molar mass
- 440.3 g/mol
Names & identifiers
- Preferred name
- 2-Phenoxy-benzoic acid 3,5-bis-trifluoromethyl-benzyl ester
- IUPAC
- [3,5-bis(trifluoromethyl)phenyl]methyl 2-phenoxybenzoate
Names & synonyms
2-Phenoxy-benzoic acid 3,5-bis-trifluoromethyl-benzyl esterSCHEMBL5743528
Database identifiers
- PubChem CID
- 9846067
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 563
Related reactions
3 records
Compound notes
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