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:000424-40-8
Name:Diethyl 2,2,3,3,4,4-hexafluoropentanedioate
Description:The original non-IUPAC name was: Pentanedioic acid, 2,2,3,3,4,4-hexafluoro-, 1,5-diethylester
Labels:
CAS:424-40-8
InChi Code:InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3

Properties

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

ValueSource or prediction
5.3576

experimental value

4.67919

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