1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine

C₁₀H₁₇F₂N — CID 155036947

About 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine

1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine (PubChem CID 155036947) has the molecular formula C₁₀H₁₇F₂N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine
• PubChem CID: 155036947
• Molecular Formula: C₁₀H₁₇F₂N
• Molecular Weight: 189.25 g/mol
• Exact Mass: 189.13
• IUPAC Name: 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine
• SMILES: C=CN1CCC(C(C)C)CC1(F)F
• InChI: InChI=1S/C10H17F2N/c1-4-13-6-5-9(8(2)3)7-10(13,11)12/h4,8-9H,1,5-7H2,2-3H3
• InChIKey: CLILDUNGGKMTMM-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.25
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?

The IUPAC name of 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine (CID 155036947) is 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine.

What is the SMILES notation for 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?

The canonical SMILES for 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine is C=CN1CCC(C(C)C)CC1(F)F.

What is the InChIKey of 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?

The InChIKey is CLILDUNGGKMTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-13-6-5-9(8(2)3)7-10(13,11)12/h4,8-9H,1,5-7H2,2-3H3.

What are the key properties of 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine?

1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine has a molecular weight of 189.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-2,2-difluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 155036947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155036947 — identifiers, structure, computed properties (public domain)

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