About 1-(4-bromo-3-fluorophenyl)nonylhydrazine
1-(4-bromo-3-fluorophenyl)nonylhydrazine (PubChem CID 105294452) has the molecular formula C15H24BrFN2
and a molecular weight of 331.27 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)nonylhydrazine.
Molecular Properties
| Compound Name | 1-(4-bromo-3-fluorophenyl)nonylhydrazine |
| PubChem CID | 105294452 |
| Molecular Formula | C15H24BrFN2 |
| Molecular Weight | 331.27 g/mol |
| Exact Mass | 330.11 |
| IUPAC Name | 1-(4-bromo-3-fluorophenyl)nonylhydrazine |
| SMILES | CCCCCCCCC(NN)c1ccc(Br)c(F)c1 |
| InChI | InChI=1S/C15H24BrFN2/c1-2-3-4-5-6-7-8-15(19-18)12-9-10-13(16)14(17)11-12/h9-11,15,19H,2-8,18H2,1H3 |
| InChIKey | DWJPEDAISYQRBR-UHFFFAOYSA-N |
| XLogP | 4.84 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 331.27 |
| LogP ≤ 5 | 4.84 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-bromo-3-fluorophenyl)nonylhydrazine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)nonylhydrazine (CID 105294452) is 1-(4-bromo-3-fluorophenyl)nonylhydrazine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)nonylhydrazine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)nonylhydrazine is CCCCCCCCC(NN)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)nonylhydrazine?
The InChIKey is DWJPEDAISYQRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFN2/c1-2-3-4-5-6-7-8-15(19-18)12-9-10-13(16)14(17)11-12/h9-11,15,19H,2-8,18H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)nonylhydrazine?
1-(4-bromo-3-fluorophenyl)nonylhydrazine has a molecular weight of 331.27 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)nonylhydrazine is sourced from PubChem (CID 105294452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).