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:	1604
	Name:	2,2,2-trifluoroethan-1-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Trifluoroethanol
	Labels:
	CAS:	75-89-8
	InChi Code:	InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
2.92	experimental value
2.096	Tab2.Model_1: P. promelas LC50 (Training set)

M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i

Value	Source or prediction
4.538	experimental value
3.7331	Tab2.Model_12: PFC inal. mouse LC50 (Training set)

M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i

Value	Source or prediction
2.3281	experimental value
1.993	Tab2.Model_13: PFC inal. rat LC50 (Training set)

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

Value	Source or prediction
2.62	experimental value
2.4374	Tab2.Model_14: PFC oral rat LD50 (Training set)

Link	Resource description
DTXSID0021751	US EPA CompTox Dashboard