HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2,3,3,4,4,4-Heptafluoro-1-(1H-tetrazol-1-yl)butan-1-one
Identifiers & Physical Properties
| CAS No. | 827346-17-8 |
|---|---|
| Molecular formula | C5HF7N4O |
| Average molar mass | 266.08 g/mol |
| Monoisotopic mass | 266.0038578 g/mol |
| SMILES | O=C(n1cnnn1)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | CGQWZTBYMXVSCL-UHFFFAOYSA-N |
| PubChem CID | 71417455 |
| DTXSID | DTXSID90836794 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 60.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 316 |