10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1947
Name:1,1,3,3,3-pentafluoro-2-(fluoromethoxy)prop-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether
Labels:
CAS:58109-34-5
InChi Code:InChI=1S/C4H2F6O/c5-1-11-2(3(6)7)4(8,9)10/h1H2

Properties

M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i

ValueSource or prediction
2.6533

experimental value

3.3124

Tab2.Model_13: PFC inal. rat LC50 (Training set)