(4E)-5-fluorohepta-4,6-dien-3-imine

C₇H₁₀FN — CID 123678972

About (4E)-5-fluorohepta-4,6-dien-3-imine

(4E)-5-fluorohepta-4,6-dien-3-imine (PubChem CID 123678972) has the molecular formula C₇H₁₀FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (4E)-5-fluorohepta-4,6-dien-3-imine.

Molecular Properties

• Compound Name: (4E)-5-fluorohepta-4,6-dien-3-imine
• PubChem CID: 123678972
• Molecular Formula: C₇H₁₀FN
• Molecular Weight: 127.16 g/mol
• Exact Mass: 127.08
• IUPAC Name: (4E)-5-fluorohepta-4,6-dien-3-imine
• SMILES: [H]/N=C(/C=C(/F)C=C)CC
• InChI: InChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3,5,9H,1,4H2,2H3/b6-5+,9-7+
• InChIKey: SXERXZMSSOFZHH-SBIWHPGTSA-N
• XLogP: 2.46
• TPSA: 23.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	127.16
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
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 (4E)-5-fluorohepta-4,6-dien-3-imine?

The IUPAC name of (4E)-5-fluorohepta-4,6-dien-3-imine (CID 123678972) is (4E)-5-fluorohepta-4,6-dien-3-imine.

What is the SMILES notation for (4E)-5-fluorohepta-4,6-dien-3-imine?

The canonical SMILES for (4E)-5-fluorohepta-4,6-dien-3-imine is [H]/N=C(/C=C(/F)C=C)CC.

What is the InChIKey of (4E)-5-fluorohepta-4,6-dien-3-imine?

The InChIKey is SXERXZMSSOFZHH-SBIWHPGTSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3,5,9H,1,4H2,2H3/b6-5+,9-7+.

What are the key properties of (4E)-5-fluorohepta-4,6-dien-3-imine?

(4E)-5-fluorohepta-4,6-dien-3-imine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-5-fluorohepta-4,6-dien-3-imine is sourced from PubChem (CID 123678972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123678972 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.