(2E,4E)-2-fluoro-4-methylhexa-2,4-diene

C₇H₁₁F — CID 143698072

About (2E,4E)-2-fluoro-4-methylhexa-2,4-diene

(2E,4E)-2-fluoro-4-methylhexa-2,4-diene (PubChem CID 143698072) has the molecular formula C₇H₁₁F and a molecular weight of 114.16 g/mol. Its IUPAC name is (2E,4E)-2-fluoro-4-methylhexa-2,4-diene.

Molecular Properties

• Compound Name: (2E,4E)-2-fluoro-4-methylhexa-2,4-diene
• PubChem CID: 143698072
• Molecular Formula: C₇H₁₁F
• Molecular Weight: 114.16 g/mol
• Exact Mass: 114.08
• IUPAC Name: (2E,4E)-2-fluoro-4-methylhexa-2,4-diene
• SMILES: C/C=C(C)/C=C(\C)F
• InChI: InChI=1S/C7H11F/c1-4-6(2)5-7(3)8/h4-5H,1-3H3/b6-4+,7-5+
• InChIKey: RXHMLHVRZCIEIN-YDFGWWAZSA-N
• XLogP: 2.83
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	114.16
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?

The IUPAC name of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene (CID 143698072) is (2E,4E)-2-fluoro-4-methylhexa-2,4-diene.

What is the SMILES notation for (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?

The canonical SMILES for (2E,4E)-2-fluoro-4-methylhexa-2,4-diene is C/C=C(C)/C=C(\C)F.

What is the InChIKey of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?

The InChIKey is RXHMLHVRZCIEIN-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H11F/c1-4-6(2)5-7(3)8/h4-5H,1-3H3/b6-4+,7-5+.

What are the key properties of (2E,4E)-2-fluoro-4-methylhexa-2,4-diene?

(2E,4E)-2-fluoro-4-methylhexa-2,4-diene has a molecular weight of 114.16 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-2-fluoro-4-methylhexa-2,4-diene is sourced from PubChem (CID 143698072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143698072 — identifiers, structure, computed properties (public domain)

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