(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone

C₁₁H₁₄F₃NO — CID 177162085

About (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 177162085) has the molecular formula C₁₁H₁₄F₃NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

• Compound Name: (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
• PubChem CID: 177162085
• Molecular Formula: C₁₁H₁₄F₃NO
• Molecular Weight: 233.23 g/mol
• Exact Mass: 233.10
• IUPAC Name: (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone
• SMILES: CC1=CCN(C(=O)C2CC2C(F)(F)F)CC1
• InChI: InChI=1S/C11H14F3NO/c1-7-2-4-15(5-3-7)10(16)8-6-9(8)11(12,13)14/h2,8-9H,3-6H2,1H3
• InChIKey: SSUWSYKTFYFZCE-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.23
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?

The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone (CID 177162085) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone.

What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?

The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone is CC1=CCN(C(=O)C2CC2C(F)(F)F)CC1.

What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?

The InChIKey is SSUWSYKTFYFZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7-2-4-15(5-3-7)10(16)8-6-9(8)11(12,13)14/h2,8-9H,3-6H2,1H3.

What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone?

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 233.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 177162085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177162085 — identifiers, structure, computed properties (public domain)

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