5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione

C12H11F2NO4 — CID 80758387

IUPAC5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOCCO)c2cc(F)c(F)cc21
InChIInChI=1S/C12H11F2NO4/c13-8-5-7-10(6-9(8)14)15(12(18)11(7)17)1-3-19-4-2-16/h5-6,16H,1-4H2
InChIKeyYKPRNABPKAVYTH-UHFFFAOYSA-N
MW271.22 g/mol
LogP0.50
Rot. Bonds5

About 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione

5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione (PubChem CID 80758387) has the molecular formula C12H11F2NO4 and a molecular weight of 271.22 g/mol. Its IUPAC name is 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
PubChem CID80758387
Molecular FormulaC12H11F2NO4
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCOCCO)c2cc(F)c(F)cc21
InChIInChI=1S/C12H11F2NO4/c13-8-5-7-10(6-9(8)14)15(12(18)11(7)17)1-3-19-4-2-16/h5-6,16H,1-4H2
InChIKeyYKPRNABPKAVYTH-UHFFFAOYSA-N
XLogP0.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
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 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
The IUPAC name of 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione (CID 80758387) is 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione is O=C1C(=O)N(CCOCCO)c2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
The InChIKey is YKPRNABPKAVYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO4/c13-8-5-7-10(6-9(8)14)15(12(18)11(7)17)1-3-19-4-2-16/h5-6,16H,1-4H2.
What are the key properties of 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione?
5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione has a molecular weight of 271.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 80758387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).