1-(4-bromo-3-fluorophenyl)heptylhydrazine

C₁₃H₂₀BrFN₂ — CID 105294043

About 1-(4-bromo-3-fluorophenyl)heptylhydrazine

1-(4-bromo-3-fluorophenyl)heptylhydrazine (PubChem CID 105294043) has the molecular formula C₁₃H₂₀BrFN₂ and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)heptylhydrazine.

Molecular Properties

• Compound Name: 1-(4-bromo-3-fluorophenyl)heptylhydrazine
• PubChem CID: 105294043
• Molecular Formula: C₁₃H₂₀BrFN₂
• Molecular Weight: 303.22 g/mol
• Exact Mass: 302.08
• IUPAC Name: 1-(4-bromo-3-fluorophenyl)heptylhydrazine
• SMILES: CCCCCCC(NN)c1ccc(Br)c(F)c1
• InChI: InChI=1S/C13H20BrFN2/c1-2-3-4-5-6-13(17-16)10-7-8-11(14)12(15)9-10/h7-9,13,17H,2-6,16H2,1H3
• InChIKey: DQDFCWHPLDSQNB-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.22
LogP ≤ 5	4.06
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'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)heptylhydrazine?

The IUPAC name of 1-(4-bromo-3-fluorophenyl)heptylhydrazine (CID 105294043) is 1-(4-bromo-3-fluorophenyl)heptylhydrazine.

What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)heptylhydrazine?

The canonical SMILES for 1-(4-bromo-3-fluorophenyl)heptylhydrazine is CCCCCCC(NN)c1ccc(Br)c(F)c1.

What is the InChIKey of 1-(4-bromo-3-fluorophenyl)heptylhydrazine?

The InChIKey is DQDFCWHPLDSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-2-3-4-5-6-13(17-16)10-7-8-11(14)12(15)9-10/h7-9,13,17H,2-6,16H2,1H3.

What are the key properties of 1-(4-bromo-3-fluorophenyl)heptylhydrazine?

1-(4-bromo-3-fluorophenyl)heptylhydrazine has a molecular weight of 303.22 g/mol, XLogP of 4.06, 7 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)heptylhydrazine is sourced from PubChem (CID 105294043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105294043 — identifiers, structure, computed properties (public domain)

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