6-fluoro-1-(2-oxopropyl)indole-2,3-dione

C11H8FNO3 — CID 62024263

IUPAC6-fluoro-1-(2-oxopropyl)indole-2,3-dione
SMILESCC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C11H8FNO3/c1-6(14)5-13-9-4-7(12)2-3-8(9)10(15)11(13)16/h2-4H,5H2,1H3
InChIKeyGBEOEFLTYLHVCY-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.94
Rot. Bonds2

About 6-fluoro-1-(2-oxopropyl)indole-2,3-dione

6-fluoro-1-(2-oxopropyl)indole-2,3-dione (PubChem CID 62024263) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 6-fluoro-1-(2-oxopropyl)indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-(2-oxopropyl)indole-2,3-dione
PubChem CID62024263
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name6-fluoro-1-(2-oxopropyl)indole-2,3-dione
SMILESCC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C11H8FNO3/c1-6(14)5-13-9-4-7(12)2-3-8(9)10(15)11(13)16/h2-4H,5H2,1H3
InChIKeyGBEOEFLTYLHVCY-UHFFFAOYSA-N
XLogP0.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione
CID 60872828
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61485458
1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
CID 104751180
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
CID 61489934
3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325538
6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79361539
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487935
5-fluoro-1-(3-methyl-2-oxobutyl)indole-2,3-dione
CID 79395662
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
(E)-4-(5-fluoro-2,3-dioxoindol-1-yl)-3-methylbut-2-enoic acid
CID 55234980
6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387539
1-[2-(bromomethyl)-2-ethylbutyl]-6-fluoroindole-2,3-dione
CID 64998346

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-oxopropyl)indole-2,3-dione?
The IUPAC name of 6-fluoro-1-(2-oxopropyl)indole-2,3-dione (CID 62024263) is 6-fluoro-1-(2-oxopropyl)indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-(2-oxopropyl)indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-(2-oxopropyl)indole-2,3-dione is CC(=O)CN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-(2-oxopropyl)indole-2,3-dione?
The InChIKey is GBEOEFLTYLHVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-6(14)5-13-9-4-7(12)2-3-8(9)10(15)11(13)16/h2-4H,5H2,1H3.
What are the key properties of 6-fluoro-1-(2-oxopropyl)indole-2,3-dione?
6-fluoro-1-(2-oxopropyl)indole-2,3-dione has a molecular weight of 221.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-oxopropyl)indole-2,3-dione is sourced from PubChem (CID 62024263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).