5,7-difluoro-1H-indole-2,3-dione

C8H3F2NO2 — CID 16794671

IUPAC5,7-difluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)cc(F)cc2C1=O
InChIInChI=1S/C8H3F2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKeyLGOCJGRNNIZUBL-UHFFFAOYSA-N
MW183.11 g/mol
LogP1.10
Rot. Bonds

About 5,7-difluoro-1H-indole-2,3-dione

5,7-difluoro-1H-indole-2,3-dione (PubChem CID 16794671) has the molecular formula C8H3F2NO2 and a molecular weight of 183.11 g/mol. Its IUPAC name is 5,7-difluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name5,7-difluoro-1H-indole-2,3-dione
PubChem CID16794671
Molecular FormulaC8H3F2NO2
Molecular Weight183.11 g/mol
Exact Mass183.01
IUPAC Name5,7-difluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)cc(F)cc2C1=O
InChIInChI=1S/C8H3F2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKeyLGOCJGRNNIZUBL-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.11
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1H-indole-2,3-dione?
The IUPAC name of 5,7-difluoro-1H-indole-2,3-dione (CID 16794671) is 5,7-difluoro-1H-indole-2,3-dione.
What is the SMILES notation for 5,7-difluoro-1H-indole-2,3-dione?
The canonical SMILES for 5,7-difluoro-1H-indole-2,3-dione is O=C1Nc2c(F)cc(F)cc2C1=O.
What is the InChIKey of 5,7-difluoro-1H-indole-2,3-dione?
The InChIKey is LGOCJGRNNIZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13).
What are the key properties of 5,7-difluoro-1H-indole-2,3-dione?
5,7-difluoro-1H-indole-2,3-dione has a molecular weight of 183.11 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1H-indole-2,3-dione is sourced from PubChem (CID 16794671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).