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: | 1933 | |
|---|---|---|
| Name: | 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: HEXAFLUOROISOBUTENE | |
| Labels: | ||
| CAS: | 382-10-5 | |
| InChi Code: | InChI=1S/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2 |
Properties
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 2.0612 |
experimental value |
| 2.2899 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9052056 | US EPA CompTox Dashboard |