N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine

C₁₅H₁₈F₃N — CID 89261134

About N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine

N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 89261134) has the molecular formula C₁₅H₁₈F₃N and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

• Compound Name: N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine
• PubChem CID: 89261134
• Molecular Formula: C₁₅H₁₈F₃N
• Molecular Weight: 269.31 g/mol
• Exact Mass: 269.14
• IUPAC Name: N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine
• SMILES: CC/C(C)=C(C)/N=C(\C)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C15H18F3N/c1-5-10(2)11(3)19-12(4)13-6-8-14(9-7-13)15(16,17)18/h6-9H,5H2,1-4H3/b11-10+,19-12+
• InChIKey: LSYVIRMQUCQIPD-OFAWCBBISA-N
• XLogP: 5.22
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	269.31
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?

The IUPAC name of N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 89261134) is N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine.

What is the SMILES notation for N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?

The canonical SMILES for N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine is CC/C(C)=C(C)/N=C(\C)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?

The InChIKey is LSYVIRMQUCQIPD-OFAWCBBISA-N. The full InChI is InChI=1S/C15H18F3N/c1-5-10(2)11(3)19-12(4)13-6-8-14(9-7-13)15(16,17)18/h6-9H,5H2,1-4H3/b11-10+,19-12+.

What are the key properties of N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?

N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 269.31 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 89261134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 89261134 — identifiers, structure, computed properties (public domain)

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