1.0 2020-04-06 11:04:09 UTC 2025-11-19 03:10:31 UTC FDB111662 2,2,2-Trichloroethanol C2H3Cl3O 149.404 147.924947839 2,2,2-trichloroethan-1-ol trichloroethanol 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. Chlorohydrins Organic compounds Organohalogen compounds Halohydrins Chlorohydrins Aliphatic acyclic compounds 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 a small molecule chloroethanol logp 1.23 ALOGPS logs -0.95 ALOGPS solubility 1.69e+01 g/l 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 Specdb::CMs 26298 Specdb::CMs 47562 Specdb::CMs 160333 Specdb::MsIr 9372 Specdb::MsIr 9373 Specdb::MsIr 9374 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 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 HMDB0041796 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823