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

C14H13FN2O4 — CID 172616722

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione
SMILESCC1C=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC1F
InChIInChI=1S/C14H13FN2O4/c1-6-4-7-8(5-9(6)15)14(21)17(13(7)20)10-2-3-11(18)16-12(10)19/h4-6,9-10H,2-3H2,1H3,(H,16,18,19)
InChIKeyCDEDSIFQUYKMAX-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.00
Rot. Bonds1

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

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione (PubChem CID 172616722) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione
PubChem CID172616722
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione
SMILESCC1C=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC1F
InChIInChI=1S/C14H13FN2O4/c1-6-4-7-8(5-9(6)15)14(21)17(13(7)20)10-2-3-11(18)16-12(10)19/h4-6,9-10H,2-3H2,1H3,(H,16,18,19)
InChIKeyCDEDSIFQUYKMAX-UHFFFAOYSA-N
XLogP0.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.00
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)-5-fluoro-6-methyl-5,6-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-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
CID 134581938
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-5,6-dihydroisoindole-1,3-dione
CID 134581950
2-(2,6-Dioxopiperidin-3-yl)-6-fluoro-3,7a-dihydroisoindole-1,7-dione
CID 135156643
3-fluoro-3-(3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 141245440
2-(3-Fluoro-2,6-dioxopiperidin-3-yl)-3a,4-dihydroisoindole-1,3-dione
CID 141245441
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 142616400
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-5,6-dihydroisoindole-1,3-dione
CID 145407549
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-4,5-dihydroisoindole-1,3-dione
CID 147507530
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 154025774
(3S)-3-[(4Z)-4-[(E)-1-amino-3-fluorobut-2-enylidene]-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 154980430
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione
CID 155357553

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione (CID 172616722) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione is CC1C=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC1F.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione?
The InChIKey is CDEDSIFQUYKMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-6-4-7-8(5-9(6)15)14(21)17(13(7)20)10-2-3-11(18)16-12(10)19/h4-6,9-10H,2-3H2,1H3,(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione has a molecular weight of 292.27 g/mol, XLogP of 0.00, 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)-5-fluoro-6-methyl-5,6-dihydroisoindole-1,3-dione is sourced from PubChem (CID 172616722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).