C14H9F5N2O2 — CID 9466515
2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 9466515) has the molecular formula C14H9F5N2O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.
| Compound Name | 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol |
|---|---|
| PubChem CID | 9466515 |
| Molecular Formula | C14H9F5N2O2 |
| Molecular Weight | 332.23 g/mol |
| Exact Mass | 332.06 |
| IUPAC Name | 2-methoxy-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol |
| SMILES | COc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)cc1O |
| InChI | InChI=1S/C14H9F5N2O2/c1-23-8-3-2-6(4-7(8)22)5-20-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,21-22H,1H3/b20-5- |
| InChIKey | FMGNFSLRTKUBTG-SDPNRITHSA-N |
| XLogP | 3.54 |
| TPSA | 53.85 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 23 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 332.23 |
| LogP ≤ 5 | 3.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|