Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.

Compound

	ID:	436
	Name:	2-Methyl-3,3,4,4-tetrafluoro-2-butanol
	Description:
	Labels:
	CAS:	29553-26-2
	InChi Code:	InChI=1S/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3

Properties

pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]

Value	Source or prediction
2.439	experimental value
2.16	Eq9: General validated correlation, logP free (Training set)

Links to External Resources

Link	Resource description
DTXSID9022283	US EPA CompTox Dashboard