(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine

C₂₀H₃₅F₂N — CID 130242904

About (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine

(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine (PubChem CID 130242904) has the molecular formula C₂₀H₃₅F₂N and a molecular weight of 327.50 g/mol. Its IUPAC name is (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine.

Molecular Properties

• Compound Name: (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine
• PubChem CID: 130242904
• Molecular Formula: C₂₀H₃₅F₂N
• Molecular Weight: 327.50 g/mol
• Exact Mass: 327.27
• IUPAC Name: (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine
• SMILES: CCCCC(=C/C=C(\C)CC(C)(C)CCCNCC)/C(F)=C/F
• InChI: InChI=1S/C20H35F2N/c1-6-8-10-18(19(22)16-21)12-11-17(3)15-20(4,5)13-9-14-23-7-2/h11-12,16,23H,6-10,13-15H2,1-5H3/b17-11+,18-12-,19-16-
• InChIKey: NUFNPHMFYHZSGK-GEALJCBXSA-N
• XLogP: 6.64
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	327.50
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
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 (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?

The IUPAC name of (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine (CID 130242904) is (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine.

What is the SMILES notation for (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?

The canonical SMILES for (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine is CCCCC(=C/C=C(\C)CC(C)(C)CCCNCC)/C(F)=C/F.

What is the InChIKey of (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?

The InChIKey is NUFNPHMFYHZSGK-GEALJCBXSA-N. The full InChI is InChI=1S/C20H35F2N/c1-6-8-10-18(19(22)16-21)12-11-17(3)15-20(4,5)13-9-14-23-7-2/h11-12,16,23H,6-10,13-15H2,1-5H3/b17-11+,18-12-,19-16-.

What are the key properties of (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?

(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine has a molecular weight of 327.50 g/mol, XLogP of 6.64, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine is sourced from PubChem (CID 130242904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130242904 — identifiers, structure, computed properties (public domain)

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