HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,4,5,5,6,6,7,7,7-Nonafluorohept-2-yn-1-ol

Identifiers & Physical Properties
| CAS No. | 81190-31-0 |
|---|---|
| Molecular formula | C7H3F9O |
| Average molar mass | 274.08 g/mol |
| Monoisotopic mass | 274.00401817 g/mol |
| SMILES | OCC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | PGVKLEHFIFBSQI-UHFFFAOYSA-N |
| PubChem CID | 13291237 |
| DTXSID | DTXSID90535038 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 341 |
| PFAS | PFAS -> OECD CategoryPFAS -> Other/unspecified |