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:	1966
	Name:	4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'-(hexafluoroisopropylidene)diphenol
	Labels:
	CAS:	1478-61-1
	InChi Code:	InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H

Properties

M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i

Value	Source or prediction
1.995	experimental value
1.9342	Tab2.Model_14: PFC oral rat LD50 (Training set)