HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol
Octafluoro-2-(trifluoromethyl)butan-2-ol · 1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)-2-butanol · 2-Butanol, 1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)-
Identifiers & Physical Properties
| CAS No. | 6188-98-3 |
|---|---|
| Molecular formula | C5HF11O |
| Average molar mass | 286.04 g/mol |
| Monoisotopic mass | 285.98517507 g/mol |
| SMILES | OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F |
| InChIKey | LHMFPLLMFQGGMV-UHFFFAOYSA-N |
| PubChem CID | 160813 |
| DTXSID | DTXSID70210871 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 12 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 266 |
| Boiling point | 67 °C |
| Density | 1.695±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.03±0.29(Predicted) |