3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one

C18H13F2NO2S — CID 71057079

IUPAC3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1C=CSC1
InChIInChI=1S/C18H13F2NO2S/c19-14-6-5-13-16(15(14)20)21-17(23)18(13,11-7-8-24-9-11)10-1-3-12(22)4-2-10/h1-8,11,22H,9H2,(H,21,23)
InChIKeyQHCXEHWFEXLUGM-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.79
Rot. Bonds2

About 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one

3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 71057079) has the molecular formula C18H13F2NO2S and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID71057079
Molecular FormulaC18H13F2NO2S
Molecular Weight345.37 g/mol
Exact Mass345.06
IUPAC Name3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1C=CSC1
InChIInChI=1S/C18H13F2NO2S/c19-14-6-5-13-16(15(14)20)21-17(23)18(13,11-7-8-24-9-11)10-1-3-12(22)4-2-10/h1-8,11,22H,9H2,(H,21,23)
InChIKeyQHCXEHWFEXLUGM-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (CID 71057079) is 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1C=CSC1.
What is the InChIKey of 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is QHCXEHWFEXLUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO2S/c19-14-6-5-13-16(15(14)20)21-17(23)18(13,11-7-8-24-9-11)10-1-3-12(22)4-2-10/h1-8,11,22H,9H2,(H,21,23).
What are the key properties of 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 345.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 71057079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).