4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione

C11H9F2NO3 — CID 83215069

IUPAC4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C11H9F2NO3/c1-17-5-4-14-9-7(13)3-2-6(12)8(9)10(15)11(14)16/h2-3H,4-5H2,1H3
InChIKeyGHSVMZGESRSICX-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.14
Rot. Bonds3

About 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione

4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione (PubChem CID 83215069) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione
PubChem CID83215069
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C11H9F2NO3/c1-17-5-4-14-9-7(13)3-2-6(12)8(9)10(15)11(14)16/h2-3H,4-5H2,1H3
InChIKeyGHSVMZGESRSICX-UHFFFAOYSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione?
The IUPAC name of 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione (CID 83215069) is 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione.
What is the SMILES notation for 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione?
The canonical SMILES for 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione is COCCN1C(=O)C(=O)c2c(F)ccc(F)c21.
What is the InChIKey of 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione?
The InChIKey is GHSVMZGESRSICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c1-17-5-4-14-9-7(13)3-2-6(12)8(9)10(15)11(14)16/h2-3H,4-5H2,1H3.
What are the key properties of 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione?
4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione has a molecular weight of 241.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione is sourced from PubChem (CID 83215069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).