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:	1930
	Name:	1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Heptafluoroisobutylene methyl ether
	Labels:
	CAS:	360-53-2
	InChi Code:	InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3

Properties

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

Value	Source or prediction
3.7824	experimental value
2.7915	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
2.297	experimental value
1.9342	Tab2.Model_14: PFC oral rat LD50 (Training set)

Links to External Resources

Link	Resource description
DTXSID5073167	US EPA CompTox Dashboard