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:	1118
	Name:	1-(1,1,2,2-tetrafluoroethoxy)-4-[(3R)-2,3,4-trimethylpentan-2-yl]benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-63b
	Labels:
	CAS:
	InChi Code:	InChI=1S/C16H22F4O/c1-10(2)11(3)15(4,5)12-6-8-13(9-7-12)21-16(19,20)14(17)18/h6-11,14H,1-5H3/t11-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.400825461	experimental value
0.6032	Tab2.Model_5: Metab. biotransf. fish (Training set)