7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine

C₁₄H₂₃F₂N — CID 130243324

About 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine

7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine (PubChem CID 130243324) has the molecular formula C₁₄H₂₃F₂N and a molecular weight of 243.34 g/mol. Its IUPAC name is 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine.

Molecular Properties

• Compound Name: 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
• PubChem CID: 130243324
• Molecular Formula: C₁₄H₂₃F₂N
• Molecular Weight: 243.34 g/mol
• Exact Mass: 243.18
• IUPAC Name: 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
• SMILES: C=CC(F)C=C(F)C(=C)CC(C)CCCNC
• InChI: InChI=1S/C14H23F2N/c1-5-13(15)10-14(16)12(3)9-11(2)7-6-8-17-4/h5,10-11,13,17H,1,3,6-9H2,2,4H3
• InChIKey: DJUWVVZLZIRRNN-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.34
LogP ≤ 5	3.95
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?

The IUPAC name of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine (CID 130243324) is 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine.

What is the SMILES notation for 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?

The canonical SMILES for 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine is C=CC(F)C=C(F)C(=C)CC(C)CCCNC.

What is the InChIKey of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?

The InChIKey is DJUWVVZLZIRRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-5-13(15)10-14(16)12(3)9-11(2)7-6-8-17-4/h5,10-11,13,17H,1,3,6-9H2,2,4H3.

What are the key properties of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?

7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine has a molecular weight of 243.34 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine is sourced from PubChem (CID 130243324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130243324 — identifiers, structure, computed properties (public domain)

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