6,7-difluoro-1-methylindole-2,3-dione

C9H5F2NO2 — CID 68504970

IUPAC6,7-difluoro-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(F)c(F)c21
InChIInChI=1S/C9H5F2NO2/c1-12-7-4(8(13)9(12)14)2-3-5(10)6(7)11/h2-3H,1H3
InChIKeyNTJNYFJPTHNJDW-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.12
Rot. Bonds

About 6,7-difluoro-1-methylindole-2,3-dione

6,7-difluoro-1-methylindole-2,3-dione (PubChem CID 68504970) has the molecular formula C9H5F2NO2 and a molecular weight of 197.14 g/mol. Its IUPAC name is 6,7-difluoro-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6,7-difluoro-1-methylindole-2,3-dione
PubChem CID68504970
Molecular FormulaC9H5F2NO2
Molecular Weight197.14 g/mol
Exact Mass197.03
IUPAC Name6,7-difluoro-1-methylindole-2,3-dione
SMILESCN1C(=O)C(=O)c2ccc(F)c(F)c21
InChIInChI=1S/C9H5F2NO2/c1-12-7-4(8(13)9(12)14)2-3-5(10)6(7)11/h2-3H,1H3
InChIKeyNTJNYFJPTHNJDW-UHFFFAOYSA-N
XLogP1.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-difluoro-1-methylindole-2,3-dione
CID 83215152
7-chloro-5-fluoro-1-methylindole-2,3-dione
CID 131586572
7-fluoro-1-(trideuteriomethyl)indole-2,3-dione
CID 155291932
1,5,7-trimethylindole-2,3-dione
CID 12634805
6-bromo-1-methylindole-2,3-dione;ethane
CID 144701236
6-bromo-1-methylindole-2,3-dione;ethane
CID 144702232
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039
4,5-difluoro-2-benzofuran-1,3-dione
CID 15106096
5-[3,5-bis(1-methyl-2,3-dioxoindol-5-yl)phenyl]-1-methylindole-2,3-dione
CID 164938906
1-(2-aminoethyl)-7-fluoroindole-2,3-dione
CID 84621035
6-(2,5-dichlorophenyl)sulfanyl-1-methylindole-2,3-dione
CID 81301729
1-(2-ethylbutyl)-7-fluoroindole-2,3-dione
CID 58101394

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-methylindole-2,3-dione?
The IUPAC name of 6,7-difluoro-1-methylindole-2,3-dione (CID 68504970) is 6,7-difluoro-1-methylindole-2,3-dione.
What is the SMILES notation for 6,7-difluoro-1-methylindole-2,3-dione?
The canonical SMILES for 6,7-difluoro-1-methylindole-2,3-dione is CN1C(=O)C(=O)c2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-methylindole-2,3-dione?
The InChIKey is NTJNYFJPTHNJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2/c1-12-7-4(8(13)9(12)14)2-3-5(10)6(7)11/h2-3H,1H3.
What are the key properties of 6,7-difluoro-1-methylindole-2,3-dione?
6,7-difluoro-1-methylindole-2,3-dione has a molecular weight of 197.14 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-methylindole-2,3-dione is sourced from PubChem (CID 68504970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).