2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione

C14H11FN2O4 — CID 131999738

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
SMILESCc1ccc(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H11FN2O4/c1-6-2-3-7(15)11-10(6)13(20)17(14(11)21)8-4-5-9(18)16-12(8)19/h2-3,8H,4-5H2,1H3,(H,16,18,19)
InChIKeyCBFMSPVJSSHVII-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.54
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione (PubChem CID 131999738) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
PubChem CID131999738
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
SMILESCc1ccc(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H11FN2O4/c1-6-2-3-7(15)11-10(6)13(20)17(14(11)21)8-4-5-9(18)16-12(8)19/h2-3,8H,4-5H2,1H3,(H,16,18,19)
InChIKeyCBFMSPVJSSHVII-UHFFFAOYSA-N
XLogP0.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.54
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)-4-fluoro-7-methylisoindole-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)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739
4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
CID 168872411
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
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
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
CID 168871932
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 129173983

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione (CID 131999738) is 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione is Cc1ccc(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione?
The InChIKey is CBFMSPVJSSHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-6-2-3-7(15)11-10(6)13(20)17(14(11)21)8-4-5-9(18)16-12(8)19/h2-3,8H,4-5H2,1H3,(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione has a molecular weight of 290.25 g/mol, XLogP of 0.54, 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)-4-fluoro-7-methylisoindole-1,3-dione is sourced from PubChem (CID 131999738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).