2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal

C₁₅H₁₁F₄NO — CID 174326305

About 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal

2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal (PubChem CID 174326305) has the molecular formula C₁₅H₁₁F₄NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
• PubChem CID: 174326305
• Molecular Formula: C₁₅H₁₁F₄NO
• Molecular Weight: 297.25 g/mol
• Exact Mass: 297.08
• IUPAC Name: 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
• SMILES: O=CC(Cc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1
• InChI: InChI=1S/C15H11F4NO/c16-13-4-1-10(2-5-13)11(9-21)7-14-6-3-12(8-20-14)15(17,18)19/h1-6,8-9,11H,7H2
• InChIKey: DNLLEAQAVCNGPA-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 29.96 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.25
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?

The IUPAC name of 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal (CID 174326305) is 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal.

What is the SMILES notation for 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?

The canonical SMILES for 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal is O=CC(Cc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1.

What is the InChIKey of 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?

The InChIKey is DNLLEAQAVCNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c16-13-4-1-10(2-5-13)11(9-21)7-14-6-3-12(8-20-14)15(17,18)19/h1-6,8-9,11H,7H2.

What are the key properties of 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal?

2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal has a molecular weight of 297.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal is sourced from PubChem (CID 174326305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174326305 — identifiers, structure, computed properties (public domain)

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