4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione

C14H9F2NO2S — CID 63775885

IUPAC4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2cccs2)c2cc(F)cc(F)c21
InChIInChI=1S/C14H9F2NO2S/c15-8-6-10(16)12-11(7-8)17(14(19)13(12)18)4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2
InChIKeyKYAQVCSQUQKMBL-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.80
Rot. Bonds3

About 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione

4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione (PubChem CID 63775885) has the molecular formula C14H9F2NO2S and a molecular weight of 293.29 g/mol. Its IUPAC name is 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
PubChem CID63775885
Molecular FormulaC14H9F2NO2S
Molecular Weight293.29 g/mol
Exact Mass293.03
IUPAC Name4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2cccs2)c2cc(F)cc(F)c21
InChIInChI=1S/C14H9F2NO2S/c15-8-6-10(16)12-11(7-8)17(14(19)13(12)18)4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2
InChIKeyKYAQVCSQUQKMBL-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.80
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 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione (CID 63775885) is 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCc2cccs2)c2cc(F)cc(F)c21.
What is the InChIKey of 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
The InChIKey is KYAQVCSQUQKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2S/c15-8-6-10(16)12-11(7-8)17(14(19)13(12)18)4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2.
What are the key properties of 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione has a molecular weight of 293.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione is sourced from PubChem (CID 63775885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).