About [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine
[(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine (PubChem CID 105194403) has the molecular formula C14H14BrFN2
and a molecular weight of 309.18 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine.
Molecular Properties
| Compound Name | [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine |
| PubChem CID | 105194403 |
| Molecular Formula | C14H14BrFN2 |
| Molecular Weight | 309.18 g/mol |
| Exact Mass | 308.03 |
| IUPAC Name | [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine |
| SMILES | Cc1ccc(C(NN)c2cc(Br)ccc2F)cc1 |
| InChI | InChI=1S/C14H14BrFN2/c1-9-2-4-10(5-3-9)14(18-17)12-8-11(15)6-7-13(12)16/h2-8,14,18H,17H2,1H3 |
| InChIKey | WIXLNBPPTSDFOZ-UHFFFAOYSA-N |
| XLogP | 3.45 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 309.18 |
| LogP ≤ 5 | 3.45 |
| 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)-(4-methylphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine (CID 105194403) is [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2cc(Br)ccc2F)cc1.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine?
The InChIKey is WIXLNBPPTSDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-2-4-10(5-3-9)14(18-17)12-8-11(15)6-7-13(12)16/h2-8,14,18H,17H2,1H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine has a molecular weight of 309.18 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105194403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).