HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Methyl-2,2,3,3-tetrafluoropropyl carbamate
Einecs 212-050-2 · 2-Butanol, 3,3,4,4-tetrafluoro-, 2-carbamate · 1-methyl-2,2,3,3-tetrafluoropropyl carbamate · Carbamic acid 2,2,3,3-tetrafluoro-1-methylpropyl ester
Identifiers & Physical Properties
| CAS No. | 756-48-9 |
|---|---|
| Molecular formula | C5H7F4NO2 |
| Average molar mass | 189.11 g/mol |
| Monoisotopic mass | 189.04129111 g/mol |
| SMILES | CC(OC(N)=O)C(F)(F)C(F)F |
| InChIKey | XUIBKESPXOBFGS-UHFFFAOYSA-N |
| PubChem CID | 97849 |
| EC No. | 212-050-2 |
| DTXSID | DTXSID901259059 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 173 |
| Melting point | 62-64 °C |
| Boiling point | 210.7±40.0 °C(Predicted) |
| Density | 1.342±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.92±0.50(Predicted) |