(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine

C₆H₈F₃N — CID 170286662

About (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine

(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine (PubChem CID 170286662) has the molecular formula C₆H₈F₃N and a molecular weight of 151.13 g/mol. Its IUPAC name is (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine.

Molecular Properties

• Compound Name: (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
• PubChem CID: 170286662
• Molecular Formula: C₆H₈F₃N
• Molecular Weight: 151.13 g/mol
• Exact Mass: 151.06
• IUPAC Name: (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine
• SMILES: C=C(/C=C\NC)C(F)(F)F
• InChI: InChI=1S/C6H8F3N/c1-5(3-4-10-2)6(7,8)9/h3-4,10H,1H2,2H3/b4-3-
• InChIKey: LBSFNUIZOXEABD-ARJAWSKDSA-N
• XLogP: 1.84
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	151.13
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
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 (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?

The IUPAC name of (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine (CID 170286662) is (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine.

What is the SMILES notation for (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?

The canonical SMILES for (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine is C=C(/C=C\NC)C(F)(F)F.

What is the InChIKey of (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?

The InChIKey is LBSFNUIZOXEABD-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8F3N/c1-5(3-4-10-2)6(7,8)9/h3-4,10H,1H2,2H3/b4-3-.

What are the key properties of (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine?

(1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine has a molecular weight of 151.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z)-N-methyl-3-(trifluoromethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 170286662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170286662 — identifiers, structure, computed properties (public domain)

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