2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde

C₁₅H₁₀F₂N₂O₄ — CID 155212165

About 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde

2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde (PubChem CID 155212165) has the molecular formula C₁₅H₁₀F₂N₂O₄ and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde.

Molecular Properties

• Compound Name: 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde
• PubChem CID: 155212165
• Molecular Formula: C₁₅H₁₀F₂N₂O₄
• Molecular Weight: 320.25 g/mol
• Exact Mass: 320.06
• IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde
• SMILES: O=CC(=O)c1c2cc(F)c(F)cc2cn1C1CCC(=O)NC1=O
• InChI: InChI=1S/C15H10F2N2O4/c16-9-3-7-5-19(11-1-2-13(22)18-15(11)23)14(12(21)6-20)8(7)4-10(9)17/h3-6,11H,1-2H2,(H,18,22,23)
• InChIKey: BQEZKAFTILGLFX-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 85.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.25
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde?

The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde (CID 155212165) is 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde.

What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde?

The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde is O=CC(=O)c1c2cc(F)c(F)cc2cn1C1CCC(=O)NC1=O.

What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde?

The InChIKey is BQEZKAFTILGLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4/c16-9-3-7-5-19(11-1-2-13(22)18-15(11)23)14(12(21)6-20)8(7)4-10(9)17/h3-6,11H,1-2H2,(H,18,22,23).

What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde?

2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde has a molecular weight of 320.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 155212165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155212165 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.