Molecule ID: 2707

IUPAC Name: 2,2,2-trichloroethane-1,1-diol

Description: The molecule is an organochlorine compound that is the hydrate of trichloroacetaldehyde. It has a role as a sedative, a general anaesthetic, a mouse metabolite and a xenobiotic. It is an organochlorine compound, an aldehyde hydrate and an ethanediol.

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

SELFIES: [O][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

InChI: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 1.0