Molecule ID: 736187

IUPAC Name: 2,5-bis(trifluoromethyl)benzoic acid

Description: The molecule is a benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions. It is a member of benzoic acids and a member of (trifluoromethyl)benzenes.

SMILES: O=C(O)c1cc(C(F)(F)F)ccc1C(F)(F)F

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]

InChI: InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.2