(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine

C₇H₁₁FN₂ — CID 158525661

About (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine

(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine (PubChem CID 158525661) has the molecular formula C₇H₁₁FN₂ and a molecular weight of 142.18 g/mol. Its IUPAC name is (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine.

Molecular Properties

• Compound Name: (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine
• PubChem CID: 158525661
• Molecular Formula: C₇H₁₁FN₂
• Molecular Weight: 142.18 g/mol
• Exact Mass: 142.09
• IUPAC Name: (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine
• SMILES: [H]/N=C(C)/C(F)=C(C)\N=C\C
• InChI: InChI=1S/C7H11FN2/c1-4-10-6(3)7(8)5(2)9/h4,9H,1-3H3/b7-6+,9-5+,10-4+
• InChIKey: HMTGJOWHDCSEBH-MPTDVMHQSA-N
• XLogP: 2.32
• TPSA: 36.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	142.18
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?

The IUPAC name of (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine (CID 158525661) is (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine.

What is the SMILES notation for (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?

The canonical SMILES for (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine is [H]/N=C(C)/C(F)=C(C)\N=C\C.

What is the InChIKey of (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?

The InChIKey is HMTGJOWHDCSEBH-MPTDVMHQSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-10-6(3)7(8)5(2)9/h4,9H,1-3H3/b7-6+,9-5+,10-4+.

What are the key properties of (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?

(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine has a molecular weight of 142.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine is sourced from PubChem (CID 158525661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158525661 — identifiers, structure, computed properties (public domain)

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