HuagongsheHuagongshe Chemistry Print Report · For research reference only
Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)-
Identifiers & Physical Properties
| CAS No. | 1222-66-8 |
|---|---|
| Molecular formula | C13H18F2N2O2 |
| Average molar mass | 272.29 g/mol |
| Monoisotopic mass | 272.13363426 g/mol |
| SMILES | NC(Cc1ccc(N(CCF)CCF)cc1)C(=O)O |
| InChIKey | IQLKPDQPLGAXJF-UHFFFAOYSA-N |
| PubChem CID | 20249 |
| DTXSID | DTXSID80962551 |
Chemical & Physical Properties
| XLogP | -1 |
|---|---|
| Topological polar surface area | 66.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 8 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 265 |