About [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine
[(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine (PubChem CID 105280590) has the molecular formula C15H16BrFN2
and a molecular weight of 323.21 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine.
Molecular Properties
| Compound Name | [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine |
| PubChem CID | 105280590 |
| Molecular Formula | C15H16BrFN2 |
| Molecular Weight | 323.21 g/mol |
| Exact Mass | 322.05 |
| IUPAC Name | [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine |
| SMILES | CCc1cccc(C(NN)c2cc(Br)ccc2F)c1 |
| InChI | InChI=1S/C15H16BrFN2/c1-2-10-4-3-5-11(8-10)15(19-18)13-9-12(16)6-7-14(13)17/h3-9,15,19H,2,18H2,1H3 |
| InChIKey | GJZDSBVBVWBCEG-UHFFFAOYSA-N |
| XLogP | 3.70 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 323.21 |
| LogP ≤ 5 | 3.70 |
| H-Bond Donors ≤ 5 | 2 |
| 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 [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine (CID 105280590) is [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine is CCc1cccc(C(NN)c2cc(Br)ccc2F)c1.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine?
The InChIKey is GJZDSBVBVWBCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-2-10-4-3-5-11(8-10)15(19-18)13-9-12(16)6-7-14(13)17/h3-9,15,19H,2,18H2,1H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine has a molecular weight of 323.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105280590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).