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:	1961
	Name:	2,2,3,3,4,4-hexafluoropentane-1,5-diol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol
	Labels:
	CAS:	376-90-9
	InChi Code:	InChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2

Properties

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

Value	Source or prediction
2.076	experimental value
2.3907	Tab2.Model_14: PFC oral rat LD50 (Training set)

Links to External Resources

Link	Resource description
DTXSID3059927	US EPA CompTox Dashboard