HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(2-Trifluoroacetylaminoethyl)-isatin
Identifiers & Physical Properties
| Molecular formula | C12H9F3N2O3 |
|---|---|
| Average molar mass | 286.21 g/mol |
| SMILES | O=C1Nc2ccc(CCNC(=O)C(F)(F)F)cc2C1=O |
| InChIKey | UMPOBRMUWJTMIC-UHFFFAOYSA-N |
| PubChem CID | 19708564 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 75.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 436 |