N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine

C₉H₁₂F₃N — CID 123892342

About N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine

N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine (PubChem CID 123892342) has the molecular formula C₉H₁₂F₃N and a molecular weight of 191.20 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine.

Molecular Properties

• Compound Name: N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
• PubChem CID: 123892342
• Molecular Formula: C₉H₁₂F₃N
• Molecular Weight: 191.20 g/mol
• Exact Mass: 191.09
• IUPAC Name: N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
• SMILES: C=CC=C(C)N(C)C(=C)C(F)(F)F
• InChI: InChI=1S/C9H12F3N/c1-5-6-7(2)13(4)8(3)9(10,11)12/h5-6H,1,3H2,2,4H3
• InChIKey: CABRJUMWAVCKKT-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.20
LogP ≤ 5	3.08
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 N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?

The IUPAC name of N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine (CID 123892342) is N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine.

What is the SMILES notation for N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?

The canonical SMILES for N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine is C=CC=C(C)N(C)C(=C)C(F)(F)F.

What is the InChIKey of N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?

The InChIKey is CABRJUMWAVCKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-5-6-7(2)13(4)8(3)9(10,11)12/h5-6H,1,3H2,2,4H3.

What are the key properties of N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?

N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine has a molecular weight of 191.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine is sourced from PubChem (CID 123892342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123892342 — identifiers, structure, computed properties (public domain)

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