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

C15H10F2N2O4 — CID 155212165

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1c2cc(F)c(F)cc2cn1C1CCC(=O)NC1=O
InChIInChI=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)
InChIKeyBQEZKAFTILGLFX-UHFFFAOYSA-N
MW320.25 g/mol
LogP1.28
Rot. Bonds3

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 Name2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde
PubChem CID155212165
Molecular FormulaC15H10F2N2O4
Molecular Weight320.25 g/mol
Exact Mass320.06
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1c2cc(F)c(F)cc2cn1C1CCC(=O)NC1=O
InChIInChI=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)
InChIKeyBQEZKAFTILGLFX-UHFFFAOYSA-N
XLogP1.28
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde
CID 174984156
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-4,6-difluoroisoindol-2-yl]piperidine-2,6-dione
CID 175880196
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91180408
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
CID 175801319
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-7-yl]methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 151176246
3-[7-(aminomethyl)-1-oxoisoquinolin-2-yl]piperidine-2,6-dione
CID 142469980
2-[7-(2,6-dimethylpiperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)-5,6-difluoro-1,3-dihydroisoindol-1-yl]-2-oxoacetaldehyde
CID 170171679
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-ethylsulfonylbenzamide
CID 90871517
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
CID 91547260
2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
CID 91259268

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).