Molecule ID: 719625

IUPAC Name: (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid

Description: The molecule is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the ortho-position. It is a member of cinnamic acids and a member of (trifluoromethyl)benzenes. It derives from a trans-cinnamic acid.

SMILES: O=C(O)/C=C/c1ccccc1C(F)(F)F

SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]

InChI: InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.8