About 1-benzyl-1-(4-fluorophenyl)hydrazine
1-benzyl-1-(4-fluorophenyl)hydrazine (PubChem CID 23043086) has the molecular formula C13H13FN2
and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-benzyl-1-(4-fluorophenyl)hydrazine.
Molecular Properties
| Compound Name | 1-benzyl-1-(4-fluorophenyl)hydrazine |
| PubChem CID | 23043086 |
| Molecular Formula | C13H13FN2 |
| Molecular Weight | 216.26 g/mol |
| Exact Mass | 216.11 |
| IUPAC Name | 1-benzyl-1-(4-fluorophenyl)hydrazine |
| SMILES | NN(Cc1ccccc1)c1ccc(F)cc1 |
| InChI | InChI=1S/C13H13FN2/c14-12-6-8-13(9-7-12)16(15)10-11-4-2-1-3-5-11/h1-9H,10,15H2 |
| InChIKey | XITKDJTXNYRLRL-UHFFFAOYSA-N |
| XLogP | 2.71 |
| TPSA | 29.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 216.26 |
| LogP ≤ 5 | 2.71 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-benzyl-1-(4-fluorophenyl)hydrazine?
The IUPAC name of 1-benzyl-1-(4-fluorophenyl)hydrazine (CID 23043086) is 1-benzyl-1-(4-fluorophenyl)hydrazine.
What is the SMILES notation for 1-benzyl-1-(4-fluorophenyl)hydrazine?
The canonical SMILES for 1-benzyl-1-(4-fluorophenyl)hydrazine is NN(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-1-(4-fluorophenyl)hydrazine?
The InChIKey is XITKDJTXNYRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-12-6-8-13(9-7-12)16(15)10-11-4-2-1-3-5-11/h1-9H,10,15H2.
What are the key properties of 1-benzyl-1-(4-fluorophenyl)hydrazine?
1-benzyl-1-(4-fluorophenyl)hydrazine has a molecular weight of 216.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(4-fluorophenyl)hydrazine is sourced from PubChem (CID 23043086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).