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: | 1923 | |
|---|---|---|
| Name: | (2R)-2,3,3,3-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoyl fluoride | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-(1,1,2,2,3,3-Hexafluoro-3-(trifluoromethoxy)propoxy)-2,3,3,3-tetrafluoropropanoyl fluoride | |
| Labels: | ||
| CAS: | 58194-00-6 | |
| InChi Code: | InChI=1S/C7F14O3/c8-1(22)2(9,4(12,13)14)23-5(15,16)3(10,11)6(17,18)24-7(19,20)21/t2-/m0/s1 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.96 |
experimental value |
| 5.2498 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |