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

C14H11FN2O4 — CID 131999739

IUPAC2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
SMILESCc1cc(F)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H11FN2O4/c1-6-4-7(15)5-8-11(6)14(21)17(13(8)20)9-2-3-10(18)16-12(9)19/h4-5,9H,2-3H2,1H3,(H,16,18,19)
InChIKeyHJWGJJPPVDRHEO-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.54
Rot. Bonds1

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

2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione (PubChem CID 131999739) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
PubChem CID131999739
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
SMILESCc1cc(F)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H11FN2O4/c1-6-4-7(15)5-8-11(6)14(21)17(13(8)20)9-2-3-10(18)16-12(9)19/h4-5,9H,2-3H2,1H3,(H,16,18,19)
InChIKeyHJWGJJPPVDRHEO-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'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
CID 166155279
6-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)-4-methylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138046345
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
CID 168871932
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(1-iodoethyl)isoindole-1,3-dione
CID 174269765
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-(7-oxooctylamino)isoindole-1,3-dione
CID 170000243
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione (CID 131999739) is 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione is Cc1cc(F)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione?
The InChIKey is HJWGJJPPVDRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-6-4-7(15)5-8-11(6)14(21)17(13(8)20)9-2-3-10(18)16-12(9)19/h4-5,9H,2-3H2,1H3,(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-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)-6-fluoro-4-methylisoindole-1,3-dione is sourced from PubChem (CID 131999739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).