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: | 1861 | |
|---|---|---|
| Name: | 3,3,4,4-tetrafluoro-2-methylbutan-2-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Methyl-3,3,4,4-tetrafluoro-2-butanoI | |
| Labels: | ||
| CAS: | 29553-26-2 | |
| InChi Code: | InChI=1S/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.44 |
experimental value |
| 2.9881 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9022283 | US EPA CompTox Dashboard |