5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione

C13H13ClFNO4 — CID 79336293

IUPAC5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione
SMILESCOCCOCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H13ClFNO4/c1-19-4-5-20-3-2-16-11-7-10(15)9(14)6-8(11)12(17)13(16)18/h6-7H,2-5H2,1H3
InChIKeyAMGVCHKKMQJCIR-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.67
Rot. Bonds6

About 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione

5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione (PubChem CID 79336293) has the molecular formula C13H13ClFNO4 and a molecular weight of 301.70 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione
PubChem CID79336293
Molecular FormulaC13H13ClFNO4
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione
SMILESCOCCOCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H13ClFNO4/c1-19-4-5-20-3-2-16-11-7-10(15)9(14)6-8(11)12(17)13(16)18/h6-7H,2-5H2,1H3
InChIKeyAMGVCHKKMQJCIR-UHFFFAOYSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethoxy)ethyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione (CID 79336293) is 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione is COCCOCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione?
The InChIKey is AMGVCHKKMQJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO4/c1-19-4-5-20-3-2-16-11-7-10(15)9(14)6-8(11)12(17)13(16)18/h6-7H,2-5H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione has a molecular weight of 301.70 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[2-(2-methoxyethoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 79336293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).