HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(Fluoromethyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
Identifiers & Physical Properties
| Molecular formula | C5H5F4NO |
|---|---|
| Average molar mass | 171.09 g/mol |
| Monoisotopic mass | 171.03072643 g/mol |
| SMILES | FCC1=NOC(C(F)(F)F)C1 |
| InChIKey | JSIYVOQHMIZJEK-UHFFFAOYSA-N |
| PubChem CID | 71663143 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 21.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 176 |