(E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine

C₉H₁₄FN — CID 168972321

About (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine

(E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine (PubChem CID 168972321) has the molecular formula C₉H₁₄FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

• Compound Name: (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
• PubChem CID: 168972321
• Molecular Formula: C₉H₁₄FN
• Molecular Weight: 155.22 g/mol
• Exact Mass: 155.11
• IUPAC Name: (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
• SMILES: C/C=C(F)\C=N\C(C)=C\CC
• InChI: InChI=1S/C9H14FN/c1-4-6-8(3)11-7-9(10)5-2/h5-7H,4H2,1-3H3/b8-6+,9-5+,11-7+
• InChIKey: LZJNVMLSWMHNRO-XZIBTOCTSA-N
• XLogP: 3.24
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.22
LogP ≤ 5	3.24
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 (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?

The IUPAC name of (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine (CID 168972321) is (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine.

What is the SMILES notation for (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?

The canonical SMILES for (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine is C/C=C(F)\C=N\C(C)=C\CC.

What is the InChIKey of (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?

The InChIKey is LZJNVMLSWMHNRO-XZIBTOCTSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-6-8(3)11-7-9(10)5-2/h5-7H,4H2,1-3H3/b8-6+,9-5+,11-7+.

What are the key properties of (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?

(E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine has a molecular weight of 155.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 168972321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168972321 — identifiers, structure, computed properties (public domain)

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