Molecule ID: 132472361

IUPAC Name: N'-[ethoxy(fluoro)phosphoryl]-N,N-diethylethanimidamide

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molecule is a carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(ethoxy)phosphoryl group.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 a carboxamidine, a fluorine molecular entity and an organic phosphoramidate.

SMILES: CCOP(=O)(F)/N=C(\C)N(CC)CC

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

InChI: InChI=1S/C8H18FN2O2P/c1-5-11(6-2)8(4)10-14(9,12)13-7-3/h5-7H2,1-4H3/b10-8+

Molecular Properties:
- Polar Surface Area: 41.9 Ų
- LogP: 1.0