1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine

C₁₆H₂₆F₃NO — CID 90703251

About 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine

1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine (PubChem CID 90703251) has the molecular formula C₁₆H₂₆F₃NO and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine.

Molecular Properties

• Compound Name: 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
• PubChem CID: 90703251
• Molecular Formula: C₁₆H₂₆F₃NO
• Molecular Weight: 305.38 g/mol
• Exact Mass: 305.20
• IUPAC Name: 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
• SMILES: CCC(=CC=C(C)C(F)(F)F)COC1CCN(CC)CC1
• InChI: InChI=1S/C16H26F3NO/c1-4-14(7-6-13(3)16(17,18)19)12-21-15-8-10-20(5-2)11-9-15/h6-7,15H,4-5,8-12H2,1-3H3
• InChIKey: XLFYOWPOXYGRIZ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.38
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?

The IUPAC name of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine (CID 90703251) is 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine.

What is the SMILES notation for 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?

The canonical SMILES for 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine is CCC(=CC=C(C)C(F)(F)F)COC1CCN(CC)CC1.

What is the InChIKey of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?

The InChIKey is XLFYOWPOXYGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-4-14(7-6-13(3)16(17,18)19)12-21-15-8-10-20(5-2)11-9-15/h6-7,15H,4-5,8-12H2,1-3H3.

What are the key properties of 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine?

1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine has a molecular weight of 305.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine is sourced from PubChem (CID 90703251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90703251 — identifiers, structure, computed properties (public domain)

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