HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pyridine, 1,2,3,6-tetrahydro-4-[4-(trifluoromethyl)phenyl]-
1,2,3,6-Tetrahydro-4-[4-(trifluoromethyl)phenyl]pyridine · Pyridine, 1,2,3,6-tetrahydro-4-[4-(trifluoromethyl)phenyl]- · 4-(4-Trifluoromethyl-phenyl)-1,2,3,6-tetrahydro-pyridine toluene-4-sulfonic acid salt
![Pyridine, 1,2,3,6-tetrahydro-4-[4-(trifluoromethyl)phenyl]- molecular structure](/img/chemical/12440708.png)
Identifiers & Physical Properties
| CAS No. | 67259-64-7 |
|---|---|
| Molecular formula | C12H12F3N |
| Average molar mass | 227.22 g/mol |
| Monoisotopic mass | 227.09218387 g/mol |
| SMILES | FC(F)(F)c1ccc(C2=CCNCC2)cc1 |
| InChIKey | GJTLANBQTZXEKL-UHFFFAOYSA-N |
| PubChem CID | 12440708 |
| DTXSID | DTXSID901199942 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 12 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 262 |
| Boiling point | 273.3±40.0 °C(Predicted) |
| Density | 1.186±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.96±0.10(Predicted) |