4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione

C12H11ClFNO2 — CID 61359084

IUPAC4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
SMILESCC(C)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21
InChIInChI=1S/C12H11ClFNO2/c1-6(2)5-15-10-8(14)4-3-7(13)9(10)11(16)12(15)17/h3-4,6H,5H2,1-2H3
InChIKeyQFDGEXMQQHQXNG-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.66
Rot. Bonds2

About 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione

4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione (PubChem CID 61359084) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
PubChem CID61359084
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
SMILESCC(C)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21
InChIInChI=1S/C12H11ClFNO2/c1-6(2)5-15-10-8(14)4-3-7(13)9(10)11(16)12(15)17/h3-4,6H,5H2,1-2H3
InChIKeyQFDGEXMQQHQXNG-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.66
H-Bond Donors ≤ 50
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-7-fluoro-1-(2-methylpropyl)indole-2,3-dione?
The IUPAC name of 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione (CID 61359084) is 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione is CC(C)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21.
What is the InChIKey of 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione?
The InChIKey is QFDGEXMQQHQXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-6(2)5-15-10-8(14)4-3-7(13)9(10)11(16)12(15)17/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione?
4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione has a molecular weight of 255.68 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione is sourced from PubChem (CID 61359084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).