Basic information
- Standard SMILES
CC(C)CC(C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(F)c2)c1- InChIKey
PKRPFLZFLPBLGZ-UHFFFAOYSA-N- Molecular formula
- C25H22F4O2
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.15559259
Names & identifiers
- Preferred name
- 2-(3-Fluoro-4''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-yl)-4-methyl-pentanoic acid
- IUPAC
- 2-[3-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
Names & synonyms
2-(3-Fluoro-4''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-yl)-4-methyl-pentanoic acidSCHEMBL491599
Database identifiers
- PubChem CID
- 59004709
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Related reactions
1 records
Compound notes
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