(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine

C₁₀H₁₆F₃N — CID 88578859

About (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine

(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine (PubChem CID 88578859) has the molecular formula C₁₀H₁₆F₃N and a molecular weight of 207.24 g/mol. Its IUPAC name is (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine.

Molecular Properties

• Compound Name: (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
• PubChem CID: 88578859
• Molecular Formula: C₁₀H₁₆F₃N
• Molecular Weight: 207.24 g/mol
• Exact Mass: 207.12
• IUPAC Name: (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
• SMILES: C=C/C(=C\CC(C)C(F)(F)F)N(C)C
• InChI: InChI=1S/C10H16F3N/c1-5-9(14(3)4)7-6-8(2)10(11,12)13/h5,7-8H,1,6H2,2-4H3/b9-7+
• InChIKey: SELZNNIIMVQVOI-VQHVLOKHSA-N
• XLogP: 3.21
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.24
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?

The IUPAC name of (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine (CID 88578859) is (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine.

What is the SMILES notation for (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?

The canonical SMILES for (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine is C=C/C(=C\CC(C)C(F)(F)F)N(C)C.

What is the InChIKey of (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?

The InChIKey is SELZNNIIMVQVOI-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16F3N/c1-5-9(14(3)4)7-6-8(2)10(11,12)13/h5,7-8H,1,6H2,2-4H3/b9-7+.

What are the key properties of (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?

(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine has a molecular weight of 207.24 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine is sourced from PubChem (CID 88578859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 88578859 — identifiers, structure, computed properties (public domain)

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