3-(4-Trifluoromethylphenyl)-5-trifluoromethylbenzoic acid
Basic information
- CAS
1261466-30-1- Standard SMILES
O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1- InChIKey
VGZLMIWCWXSZIY-UHFFFAOYSA-N- Molecular formula
- C15H8F6O2
- Average molar mass
- 334.21 g/mol
- Monoisotopic mass
- 334.04284847
Names & identifiers
- Preferred name
- 3-(4-Trifluoromethylphenyl)-5-trifluoromethylbenzoic acid
- IUPAC
- 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzoic acid
Names & synonyms
1261466-30-13-(4-TRIFLUOROMETHYLPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID5,4'-Bis(trifluoromethyl)biphenyl-3-carboxylic acid3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzoic acidMFCD18321806SCHEMBL25560565SCHEMBL30469526DTXSID20691176A1-514893-(4-Trifluoromethylphenyl)-5-trifluoromethylbenzoic acid, 95%4',5-Bis(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid4',5-Bis(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261466-30-1- PubChem CID
- 53227643
- DTXSID
DTXSID20691176
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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