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:	1165
	Name:	(trifluoromethyl)benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: benzotrifluoride
	Labels:
	CAS:	98-08-8
	InChi Code:	InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.479174539	experimental value
-0.5479	Tab2.Model_5: Metab. biotransf. fish (Training set)

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

Value	Source or prediction
3.2	experimental value
2.5533	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
3.3146	experimental value
3.3292	Tab2.Model_13: PFC inal. rat LC50 (Training set)

M15.logSw: Water solubility as log(Sw) [log(mg/L)]

Value	Source or prediction
2.15	experimental value
1.9972	Tab2.Model_15: PFC solubility in water (Training set)

M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]

Value	Source or prediction
1.589	experimental value
1.5802	Tab2.Model_16: PFC vapor pressure (Training set)

Link	Resource description
DTXSID2024589	US EPA CompTox Dashboard