10967/179 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Per- and Polyfluoro Toxicity (LC 50 Inhalation) Study in Rat and Mouse Using QSAR Modeling. Chem. Res. Toxicol. 2010, 23, 528–539.

Compound

ID:000075-89-8
Name:2,2,2-Trifluoroethanol
Description:The original non-IUPAC name was: Trifluoroethanol
Labels:
CAS:75-89-8
InChi Code:InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

Properties

pLC50mouse: Mice acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
4.538

experimental value

4.10937

Eq1: Acute inhalation toxicity in mice of perfluorinated compounds (Training set)

pLC50rat: Rat acute inhalation toxicity as pLC50 [-log(mmol/m^3)]

ValueSource or prediction
2.3281

experimental value

1.46734

Eq2: Acute inhalation toxicity in rats of perfluorinated compounds. (Training set)

Links to External Resources