1-(3-chloro-4-fluorophenyl)decylhydrazine

C₁₆H₂₆ClFN₂ — CID 105218123

About 1-(3-chloro-4-fluorophenyl)decylhydrazine

1-(3-chloro-4-fluorophenyl)decylhydrazine (PubChem CID 105218123) has the molecular formula C₁₆H₂₆ClFN₂ and a molecular weight of 300.85 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)decylhydrazine.

Molecular Properties

• Compound Name: 1-(3-chloro-4-fluorophenyl)decylhydrazine
• PubChem CID: 105218123
• Molecular Formula: C₁₆H₂₆ClFN₂
• Molecular Weight: 300.85 g/mol
• Exact Mass: 300.18
• IUPAC Name: 1-(3-chloro-4-fluorophenyl)decylhydrazine
• SMILES: CCCCCCCCCC(NN)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C16H26ClFN2/c1-2-3-4-5-6-7-8-9-16(20-19)13-10-11-15(18)14(17)12-13/h10-12,16,20H,2-9,19H2,1H3
• InChIKey: JJPDDMYASJONFW-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	300.85
LogP ≤ 5	5.12
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-(3-chloro-4-fluorophenyl)decylhydrazine?

The IUPAC name of 1-(3-chloro-4-fluorophenyl)decylhydrazine (CID 105218123) is 1-(3-chloro-4-fluorophenyl)decylhydrazine.

What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)decylhydrazine?

The canonical SMILES for 1-(3-chloro-4-fluorophenyl)decylhydrazine is CCCCCCCCCC(NN)c1ccc(F)c(Cl)c1.

What is the InChIKey of 1-(3-chloro-4-fluorophenyl)decylhydrazine?

The InChIKey is JJPDDMYASJONFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClFN2/c1-2-3-4-5-6-7-8-9-16(20-19)13-10-11-15(18)14(17)12-13/h10-12,16,20H,2-9,19H2,1H3.

What are the key properties of 1-(3-chloro-4-fluorophenyl)decylhydrazine?

1-(3-chloro-4-fluorophenyl)decylhydrazine has a molecular weight of 300.85 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-fluorophenyl)decylhydrazine is sourced from PubChem (CID 105218123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105218123 — identifiers, structure, computed properties (public domain)

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