2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione

C13H11FN2O4 — CID 170979392

IUPAC2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3=C(CCC(F)=C3)C2=O)C(=O)N1
InChIInChI=1S/C13H11FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h5,9H,1-4H2,(H,15,17,18)
InChIKeyFPTGNGXIOBDXGQ-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.10
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione (PubChem CID 170979392) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione
PubChem CID170979392
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3=C(CCC(F)=C3)C2=O)C(=O)N1
InChIInChI=1S/C13H11FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h5,9H,1-4H2,(H,15,17,18)
InChIKeyFPTGNGXIOBDXGQ-UHFFFAOYSA-N
XLogP0.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
CID 163373811
4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
CID 88553247
5-(bromomethyl)-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 168871458
(6bS)-5-(2,6-dioxopiperidin-3-yl)-1a,6b-dihydrooxireno[2,3-e]isoindole-4,6-dione
CID 89112682
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione (CID 170979392) is 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione is O=C1CCC(N2C(=O)C3=C(CCC(F)=C3)C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione?
The InChIKey is FPTGNGXIOBDXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h5,9H,1-4H2,(H,15,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione has a molecular weight of 278.24 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 170979392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).