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: | 1945 | |
|---|---|---|
| Name: | 2,2,2-trifluoroethyl trifluoromethanesulfonate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2,2-Trifluoroethyl trifluoromethanesulfonate | |
| Labels: | ||
| CAS: | 6226-25-1 | |
| InChi Code: | InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2 |
Properties
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 2.4232 |
experimental value |
| 3.4343 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1073365 | US EPA CompTox Dashboard |