2-[2-Fluoro-4'-(trifluoromethyl)-1,1'-biphenyl-4-yl]-2-methylpropionic acid
Basic information
- CAS
714964-98-4- Standard SMILES
CC(C)(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1- InChIKey
VENPPESRQUOIAN-UHFFFAOYSA-N- Molecular formula
- C17H14F4O2
- Average molar mass
- 326.28 g/mol
- Monoisotopic mass
- 326.09299233
Names & identifiers
- Preferred name
- 2-[2-Fluoro-4'-(trifluoromethyl)-1,1'-biphenyl-4-yl]-2-methylpropionic acid
- IUPAC
- 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-2-methylpropanoic acid
Names & synonyms
CHEMBL194692VENPPESRQUOIAN-UHFFFAOYSA-NDTXSID701151429BDBM501724852-[2-Fluoro-4'-(trifluoromethyl)-1,1'-biphenyl-4-yl]-2-methylpropionic acid714964-98-42-(2-Fluoro-4''-trifluoromethyl-biphenyl-4-yl)-2-methyl-propionic acid2-[2-Fluoro-4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]-2-methylpropanoic acid2-Fluoro-I+/-,I+/--dimethyl-4a(2)-(trifluoromethyl)[1,1a(2)-biphenyl]-4-acetic acid
Database identifiers
- CAS
714964-98-4- PubChem CID
- 11645550
- DTXSID
DTXSID701151429- ChEMBL
CHEMBL194692- Nikkaji
- J2.031.557A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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