2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione

C16H15FN2O4 — CID 167278640

IUPAC2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1cc2c(cc1F)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H15FN2O4/c1-7(2)8-5-9-10(6-11(8)17)16(23)19(15(9)22)12-3-4-13(20)18-14(12)21/h5-7,12H,3-4H2,1-2H3,(H,18,20,21)/t12-/m1/s1
InChIKeyYSQRHZOLGCYPNC-GFCCVEGCSA-N
MW318.30 g/mol
LogP1.35
Rot. Bonds2

About 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione

2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione (PubChem CID 167278640) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
PubChem CID167278640
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1cc2c(cc1F)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H15FN2O4/c1-7(2)8-5-9-10(6-11(8)17)16(23)19(15(9)22)12-3-4-13(20)18-14(12)21/h5-7,12H,3-4H2,1-2H3,(H,18,20,21)/t12-/m1/s1
InChIKeyYSQRHZOLGCYPNC-GFCCVEGCSA-N
XLogP1.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(1-iodoethyl)isoindole-1,3-dione
CID 174269765
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
5-(bromomethyl)-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 168871458
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
2-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]propanoic acid
CID 171158327
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)isoindole-1,3-dione
CID 163269333
2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138574865
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione
CID 170313071
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(2,2,5-trimethylhexylamino)isoindole-1,3-dione
CID 167513345
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione (CID 167278640) is 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione is CC(C)c1cc2c(cc1F)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione?
The InChIKey is YSQRHZOLGCYPNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-7(2)8-5-9-10(6-11(8)17)16(23)19(15(9)22)12-3-4-13(20)18-14(12)21/h5-7,12H,3-4H2,1-2H3,(H,18,20,21)/t12-/m1/s1.
What are the key properties of 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione?
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione has a molecular weight of 318.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 167278640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).