HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]perfluoroheptanamide
![N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]perfluoroheptanamide molecular structure](/img/chemical/14394251.png)
Identifiers & Physical Properties
| Molecular formula | C15H8F13N5O |
|---|---|
| Average molar mass | 521.24 g/mol |
| Monoisotopic mass | 521.052126 g/mol |
| SMILES | O=C(Nc1ccc(Cc2nn[nH]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | LXEPDQZADAHTDG-UHFFFAOYSA-N |
| PubChem CID | 14394251 |
| ChEMBL | CHEMBL173661 |
| DTXSID | DTXSID301348787 |
Chemical & Physical Properties
| XLogP | 5.1 |
|---|---|
| Topological polar surface area | 83.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 17 |
| Rotatable bonds | 8 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 737 |