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:	1114
	Name:	1-{4-methyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-yl}-4-(1,1,2,2-tetrafluoroethoxy)benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-93
	Labels:
	CAS:
	InChi Code:	InChI=1S/C22H22F8O2/c1-13(2)12-20(3,14-4-8-16(9-5-14)31-21(27,28)18(23)24)15-6-10-17(11-7-15)32-22(29,30)19(25)26/h4-11,13,18-19H,12H2,1-3H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.610825461	experimental value
1.6777	Tab2.Model_5: Metab. biotransf. fish (Training set)