Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine

C₁₀H₂₀FN — CID 143800416

About Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine

Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine (PubChem CID 143800416) has the molecular formula C₁₀H₂₀FN and a molecular weight of 173.27 g/mol. Its IUPAC name is ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

• Compound Name: Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
• PubChem CID: 143800416
• Molecular Formula: C₁₀H₂₀FN
• Molecular Weight: 173.27 g/mol
• Exact Mass: 173.16
• IUPAC Name: ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
• SMILES: C=C/C(F)=C(/C)N=C.CC.CC
• InChI: InChI=1S/C6H8FN.2C2H6/c1-4-6(7)5(2)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-5+
• InChIKey: OVMYHTRVFBMRLJ-TXOOBNKBSA-N
• XLogP: 4.13
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.27
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?

The IUPAC name of Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine (CID 143800416) is ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine.

What is the SMILES notation for Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?

The canonical SMILES for Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine is C=C/C(F)=C(/C)N=C.CC.CC.

What is the InChIKey of Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?

The InChIKey is OVMYHTRVFBMRLJ-TXOOBNKBSA-N. The full InChI is InChI=1S/C6H8FN.2C2H6/c1-4-6(7)5(2)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-5+;;.

What are the key properties of Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?

Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine has a molecular weight of 173.27 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 143800416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143800416 — identifiers, structure, computed properties (public domain)

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