Molecule ID: 16752772

IUPAC Name: 3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one

Description: The molecule is a tertiary amino compound that is ammonia in which the nitrogens have been replaced by (6-chloropyridin-3-yl)methyl, 2,2-difluoroethyl, and 5-oxo-2,5-dihydrofuran-3-yl groups, respectively. A nicotinic acetylcholine receptor (AChR) agonist, it is used as an insecticide to control sucking pests in a variety of crops. It has a role as a nicotinic acetylcholine receptor agonist and an insecticide. It is a butenolide, a monochloropyridine, an organofluorine insecticide, an enamine and a tertiary amino compound.

SMILES: O=C1C=C(N(Cc2ccc(Cl)nc2)CC(F)F)CO1

SELFIES: [O][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][C][Branch1][C][F][F][C][O][Ring2][Ring1][C]

InChI: InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2

Molecular Properties:
- Polar Surface Area: 42.4 Ų
- LogP: 2.3