2,3-bis(4-fluorophenyl)-5-methylinden-1-one

C₂₂H₁₄F₂O — CID 102369136

About 2,3-bis(4-fluorophenyl)-5-methylinden-1-one

2,3-bis(4-fluorophenyl)-5-methylinden-1-one (PubChem CID 102369136) has the molecular formula C₂₂H₁₄F₂O and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-5-methylinden-1-one.

Molecular Properties

• Compound Name: 2,3-bis(4-fluorophenyl)-5-methylinden-1-one
• PubChem CID: 102369136
• Molecular Formula: C₂₂H₁₄F₂O
• Molecular Weight: 332.35 g/mol
• Exact Mass: 332.10
• IUPAC Name: 2,3-bis(4-fluorophenyl)-5-methylinden-1-one
• SMILES: Cc1ccc2c(c1)C(c1ccc(F)cc1)=C(c1ccc(F)cc1)C2=O
• InChI: InChI=1S/C22H14F2O/c1-13-2-11-18-19(12-13)20(14-3-7-16(23)8-4-14)21(22(18)25)15-5-9-17(24)10-6-15/h2-12H,1H3
• InChIKey: CORZEKSRGWFJJE-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	332.35
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-5-methylinden-1-one?

The IUPAC name of 2,3-bis(4-fluorophenyl)-5-methylinden-1-one (CID 102369136) is 2,3-bis(4-fluorophenyl)-5-methylinden-1-one.

What is the SMILES notation for 2,3-bis(4-fluorophenyl)-5-methylinden-1-one?

The canonical SMILES for 2,3-bis(4-fluorophenyl)-5-methylinden-1-one is Cc1ccc2c(c1)C(c1ccc(F)cc1)=C(c1ccc(F)cc1)C2=O.

What is the InChIKey of 2,3-bis(4-fluorophenyl)-5-methylinden-1-one?

The InChIKey is CORZEKSRGWFJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2O/c1-13-2-11-18-19(12-13)20(14-3-7-16(23)8-4-14)21(22(18)25)15-5-9-17(24)10-6-15/h2-12H,1H3.

What are the key properties of 2,3-bis(4-fluorophenyl)-5-methylinden-1-one?

2,3-bis(4-fluorophenyl)-5-methylinden-1-one has a molecular weight of 332.35 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-bis(4-fluorophenyl)-5-methylinden-1-one is sourced from PubChem (CID 102369136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102369136 — identifiers, structure, computed properties (public domain)

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