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: | 1894 | |
|---|---|---|
| Name: | 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Ethoxyperfluoroisobutylene | |
| Labels: | ||
| CAS: | 360-58-7 | |
| InChi Code: | InChI=1S/C6H5F7O/c1-2-14-4(7)3(5(8,9)10)6(11,12)13/h2H2,1H3 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 3.692 |
experimental value |
| 3.5352 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30189559 | US EPA CompTox Dashboard |