4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione

C13H11F2NO3 — CID 62023301

IUPAC4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione
SMILESCC(=O)CCCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C13H11F2NO3/c1-7(17)3-2-4-16-10-6-8(14)5-9(15)11(10)12(18)13(16)19/h5-6H,2-4H2,1H3
InChIKeyXUBZZICUNPYQFI-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.86
Rot. Bonds4

About 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione

4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione (PubChem CID 62023301) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione
PubChem CID62023301
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione
SMILESCC(=O)CCCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C13H11F2NO3/c1-7(17)3-2-4-16-10-6-8(14)5-9(15)11(10)12(18)13(16)19/h5-6H,2-4H2,1H3
InChIKeyXUBZZICUNPYQFI-UHFFFAOYSA-N
XLogP1.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.86
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-butyl-4,6-difluoroindole-2,3-dione
CID 61357345
4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61388334
1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione
CID 61388200
1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione
CID 61359484
1-(2-cyclopropyl-2-oxoethyl)-4,6-difluoroindole-2,3-dione
CID 63915273
6-chloro-1-(5-oxohexyl)indole-2,3-dione
CID 62023661
4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
CID 62070844
4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63775885
4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61359679
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4,6-difluoroindole-2,3-dione
CID 65014649
methyl 4-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)butanoate
CID 61358323
4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione (CID 62023301) is 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione is CC(=O)CCCN1C(=O)C(=O)c2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione?
The InChIKey is XUBZZICUNPYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c1-7(17)3-2-4-16-10-6-8(14)5-9(15)11(10)12(18)13(16)19/h5-6H,2-4H2,1H3.
What are the key properties of 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione?
4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione has a molecular weight of 267.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione is sourced from PubChem (CID 62023301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).