(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene

C₁₁H₁₉FO — CID 142309223

About (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene

(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene (PubChem CID 142309223) has the molecular formula C₁₁H₁₉FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene.

Molecular Properties

• Compound Name: (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene
• PubChem CID: 142309223
• Molecular Formula: C₁₁H₁₉FO
• Molecular Weight: 186.27 g/mol
• Exact Mass: 186.14
• IUPAC Name: (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene
• SMILES: CC/C(C)=C\C=C(/C)COCCF
• InChI: InChI=1S/C11H19FO/c1-4-10(2)5-6-11(3)9-13-8-7-12/h5-6H,4,7-9H2,1-3H3/b10-5-,11-6+
• InChIKey: ABCAJTPHGVTBHH-JZKFVHIFSA-N
• XLogP: 3.28
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.27
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?

The IUPAC name of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene (CID 142309223) is (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene.

What is the SMILES notation for (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?

The canonical SMILES for (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene is CC/C(C)=C\C=C(/C)COCCF.

What is the InChIKey of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?

The InChIKey is ABCAJTPHGVTBHH-JZKFVHIFSA-N. The full InChI is InChI=1S/C11H19FO/c1-4-10(2)5-6-11(3)9-13-8-7-12/h5-6H,4,7-9H2,1-3H3/b10-5-,11-6+.

What are the key properties of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?

(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene has a molecular weight of 186.27 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene is sourced from PubChem (CID 142309223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142309223 — identifiers, structure, computed properties (public domain)

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