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: | 1914 | |
|---|---|---|
| Name: | 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Perfluoro-tert-butanol | |
| Labels: | ||
| CAS: | 2378-02-1 | |
| InChi Code: | InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.363 |
experimental value |
| 3.9607 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5073292 | US EPA CompTox Dashboard |