5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione

C11H9ClFNO3 — CID 79336291

IUPAC5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C11H9ClFNO3/c1-17-3-2-14-9-5-8(13)7(12)4-6(9)10(15)11(14)16/h4-5H,2-3H2,1H3
InChIKeyMQIOTMMUWUWWOM-UHFFFAOYSA-N
MW257.65 g/mol
LogP1.65
Rot. Bonds3

About 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione

5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione (PubChem CID 79336291) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione
PubChem CID79336291
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Name5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C11H9ClFNO3/c1-17-3-2-14-9-5-8(13)7(12)4-6(9)10(15)11(14)16/h4-5H,2-3H2,1H3
InChIKeyMQIOTMMUWUWWOM-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 51.65
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 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione (CID 79336291) is 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione is COCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione?
The InChIKey is MQIOTMMUWUWWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c1-17-3-2-14-9-5-8(13)7(12)4-6(9)10(15)11(14)16/h4-5H,2-3H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione?
5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione has a molecular weight of 257.65 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(2-methoxyethyl)indole-2,3-dione is sourced from PubChem (CID 79336291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).