1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine

C₁₀H₁₈FN — CID 131199791

About 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine

1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 131199791) has the molecular formula C₁₀H₁₈FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

• Compound Name: 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
• PubChem CID: 131199791
• Molecular Formula: C₁₀H₁₈FN
• Molecular Weight: 171.26 g/mol
• Exact Mass: 171.14
• IUPAC Name: 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
• SMILES: CCC(F)CN1CC=C(C)CC1
• InChI: InChI=1S/C10H18FN/c1-3-10(11)8-12-6-4-9(2)5-7-12/h4,10H,3,5-8H2,1-2H3
• InChIKey: HVOYXIRSPKOFCM-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.26
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?

The IUPAC name of 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 131199791) is 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine.

What is the SMILES notation for 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?

The canonical SMILES for 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine is CCC(F)CN1CC=C(C)CC1.

What is the InChIKey of 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?

The InChIKey is HVOYXIRSPKOFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-10(11)8-12-6-4-9(2)5-7-12/h4,10H,3,5-8H2,1-2H3.

What are the key properties of 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine?

1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131199791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131199791 — identifiers, structure, computed properties (public domain)

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