2-{5-[2-(3,5-Bis-trifluoromethyl-phenyl)-vinyl]-4'-trifluoromethyl-biphenyl-3-yl}-4-methyl-pentanoic acid
Basic information
- Standard SMILES
CC(C)CC(C(=O)O)c1cc(C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1- InChIKey
YSYPBVHTNMFOPR-UHFFFAOYSA-N- Molecular formula
- C29H23F9O2
- Average molar mass
- 574.5 g/mol
Names & identifiers
- Preferred name
- 2-{5-[2-(3,5-Bis-trifluoromethyl-phenyl)-vinyl]-4'-trifluoromethyl-biphenyl-3-yl}-4-methyl-pentanoic acid
- IUPAC
- 2-[3-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
Names & synonyms
2-{5-[2-(3,5-Bis-trifluoromethyl-phenyl)-vinyl]-4'-trifluoromethyl-biphenyl-3-yl}-4-methyl-pentanoic acidSCHEMBL2909453
Database identifiers
- PubChem CID
- 74409396
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 831
Related reactions
1 records
Compound notes
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