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:1287
Name:1-(1,1,2,2-tetrafluoroethoxy)-4-{2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl}benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-33
Labels:
CAS:1544-19-0
InChi Code:InChI=1S/C19H16F8O2/c1-17(2,11-3-7-13(8-4-11)28-18(24,25)15(20)21)12-5-9-14(10-6-12)29-19(26,27)16(22)23/h3-10,15-16H,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.790825461

experimental value

1.5441

Tab2.Model_5: Metab. biotransf. fish (Training set)