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: | 1118 | |
|---|---|---|
| Name: | 1-(1,1,2,2-tetrafluoroethoxy)-4-[(3R)-2,3,4-trimethylpentan-2-yl]benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-63b | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C16H22F4O/c1-10(2)11(3)15(4,5)12-6-8-13(9-7-12)21-16(19,20)14(17)18/h6-11,14H,1-5H3/t11-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.400825461 |
experimental value |
| 0.6032 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |