Molecule ID: 132472360

IUPAC Name: N,N-diethyl-N'-[fluoro(methoxy)phosphoryl]ethanimidamide

Description: The molecule is a carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(methoxy)phosphoryl group. A toxic nerve agent developed by the former Soviet Union. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a neurotoxin. It is an organic phosphoramidate, a fluorine molecular entity and a carboxamidine.

SMILES: CCN(CC)/C(C)=N/P(=O)(F)OC

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

InChI: InChI=1S/C7H16FN2O2P/c1-5-10(6-2)7(3)9-13(8,11)12-4/h5-6H2,1-4H3/b9-7+

Molecular Properties:
- Polar Surface Area: 41.9 Ų
- LogP: 0.7