Molecule ID: 16212222

IUPAC Name: 2-(4-fluoro-N-propan-2-ylanilino)-2-oxoacetic acid

Description: The molecule is a monocarboxylic acid that is oxoacetic acid substituted by a (4-fluorophenyl)(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide flufenacet. It is an aromatic amide, a member of monofluorobenzenes and a monocarboxylic acid.

SMILES: CC(C)N(C(=O)C(=O)O)c1ccc(F)cc1

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

InChI: InChI=1S/C11H12FNO3/c1-7(2)13(10(14)11(15)16)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: 2.1