1.0 2020-03-10 17:01:38 UTC 2020-04-22 18:56:13 UTC BMDB0096127 BMDB96127 2,2,2-Trichloroethanol 2,2,2-Trichloro-1-ethanol Trichloroethanol (Hydroxymethyl)trichloromethane 2, 2,2-Trichloroethanol 2,2,2-Trichloro-ethanol 2,2,2-Trichloroethanol (acd/name 4.0) 2,2,2-Trichloroethyl alcohol beta,beta,.beta-trichloroethanol beta-Trichloroethanol CCL3ch2oh Trichlorethanol Trichloroethyl alcohol C2H3Cl3O 149.404 147.924947839 2,2,2-trichloroethan-1-ol trichloroethanol 115-20-8 OCC(Cl)(Cl)Cl InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2 KPWDGTGXUYRARH-UHFFFAOYSA-N belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups. Organic compounds Organohalogen compounds Halohydrins Chlorohydrins Chlorohydrins Alkyl chlorides Hydrocarbon derivatives Organochlorides Primary alcohols Alcohol Aliphatic acyclic compound Alkyl chloride Alkyl halide Chlorohydrin Hydrocarbon derivative Organic oxygen compound Organochloride Organooxygen compound Primary alcohol Aliphatic acyclic compounds a small molecule chloroethanol logp 1.23 ALOGPS logs -0.95 ALOGPS logp 1.06 ChemAxon pka_strongest_acidic 12.51 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 2,2,2-trichloroethan-1-ol ChemAxon average_mass 149.404 ChemAxon mono_mass 147.924947839 ChemAxon smiles OCC(Cl)(Cl)Cl ChemAxon formula C2H3Cl3O ChemAxon inchi InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2 ChemAxon inchikey KPWDGTGXUYRARH-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 28.22 ChemAxon polarizability 11.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 26298 Specdb::CMs 47562 Specdb::CMs 160333 Specdb::MsIr 9372 Specdb::MsIr 9373 Specdb::MsIr 9374 Specdb::MsMs 54153 Specdb::MsMs 54154 Specdb::MsMs 54155 Specdb::MsMs 139575 Specdb::MsMs 139576 Specdb::MsMs 139577 Specdb::MsMs 2846465 Specdb::MsMs 2846466 Specdb::MsMs 2846467 Specdb::MsMs 2862568 Specdb::MsMs 2862569 Specdb::MsMs 2862570 Specdb::NmrOneD 49882 Specdb::NmrOneD 49883 Specdb::NmrOneD 49884 Specdb::NmrOneD 49885 Specdb::NmrOneD 49886 Specdb::NmrOneD 49887 Specdb::NmrOneD 49888 Specdb::NmrOneD 49889 Specdb::NmrOneD 49890 Specdb::NmrOneD 49891 Specdb::NmrOneD 49892 Specdb::NmrOneD 49893 Specdb::NmrOneD 49894 Specdb::NmrOneD 49895 Specdb::NmrOneD 49896 Specdb::NmrOneD 49897 Specdb::NmrOneD 49898 Specdb::NmrOneD 49899 Specdb::NmrOneD 49900 Specdb::NmrOneD 49901 FDB111662 7961 C07490 28094 8259 2,2,2-Trichloroethanol