Molecule ID: 5853

IUPAC Name: 2,2,2-trichloro-1-dimethoxyphosphorylethanol

Description: The molecule is a phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, an EC 3.1.1.8 (cholinesterase) inhibitor, an anthelminthic drug and an insecticide. It is an organic phosphonate, a phosphonic ester and an organochlorine compound.

SMILES: COP(=O)(OC)C(O)C(Cl)(Cl)Cl

SELFIES: [C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

InChI: InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 0.5