4-chloro-6-fluoro-1H-indole-2,3-dione

C8H3ClFNO2 — CID 67017939

IUPAC4-chloro-6-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2cc(F)cc(Cl)c2C1=O
InChIInChI=1S/C8H3ClFNO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13)
InChIKeyVXDPVOKLIGCRAN-UHFFFAOYSA-N
MW199.57 g/mol
LogP1.61
Rot. Bonds

About 4-chloro-6-fluoro-1H-indole-2,3-dione

4-chloro-6-fluoro-1H-indole-2,3-dione (PubChem CID 67017939) has the molecular formula C8H3ClFNO2 and a molecular weight of 199.57 g/mol. Its IUPAC name is 4-chloro-6-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-6-fluoro-1H-indole-2,3-dione
PubChem CID67017939
Molecular FormulaC8H3ClFNO2
Molecular Weight199.57 g/mol
Exact Mass198.98
IUPAC Name4-chloro-6-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2cc(F)cc(Cl)c2C1=O
InChIInChI=1S/C8H3ClFNO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13)
InChIKeyVXDPVOKLIGCRAN-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.57
LogP ≤ 51.61
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 4-chloro-6-fluoro-1H-indole-2,3-dione?
The IUPAC name of 4-chloro-6-fluoro-1H-indole-2,3-dione (CID 67017939) is 4-chloro-6-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 4-chloro-6-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 4-chloro-6-fluoro-1H-indole-2,3-dione is O=C1Nc2cc(F)cc(Cl)c2C1=O.
What is the InChIKey of 4-chloro-6-fluoro-1H-indole-2,3-dione?
The InChIKey is VXDPVOKLIGCRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFNO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13).
What are the key properties of 4-chloro-6-fluoro-1H-indole-2,3-dione?
4-chloro-6-fluoro-1H-indole-2,3-dione has a molecular weight of 199.57 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 67017939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).