HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,4,4-Trifluoro-3-formyl-butyric acid ethyl ester
Identifiers & Physical Properties
| Molecular formula | C7H9F3O3 |
|---|---|
| Average molar mass | 198.14 g/mol |
| Monoisotopic mass | 198.05037863 g/mol |
| SMILES | CCOC(=O)CC(C=O)C(F)(F)F |
| InChIKey | AJJJBAUASFSALR-UHFFFAOYSA-N |
| PubChem CID | 90103465 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 5 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 188 |