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

C20H11F4NO2 — CID 25061074

IUPAC3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H11F4NO2/c21-14-7-3-11(9-16(14)23)20(10-1-4-12(26)5-2-10)13-6-8-15(22)17(24)18(13)25-19(20)27/h1-9,26H,(H,25,27)
InChIKeyXYGUBZZNNZAJKQ-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.24
Rot. Bonds2

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

3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 25061074) has the molecular formula C20H11F4NO2 and a molecular weight of 373.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID25061074
Molecular FormulaC20H11F4NO2
Molecular Weight373.31 g/mol
Exact Mass373.07
IUPAC Name3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H11F4NO2/c21-14-7-3-11(9-16(14)23)20(10-1-4-12(26)5-2-10)13-6-8-15(22)17(24)18(13)25-19(20)27/h1-9,26H,(H,25,27)
InChIKeyXYGUBZZNNZAJKQ-UHFFFAOYSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (CID 25061074) is 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is XYGUBZZNNZAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4NO2/c21-14-7-3-11(9-16(14)23)20(10-1-4-12(26)5-2-10)13-6-8-15(22)17(24)18(13)25-19(20)27/h1-9,26H,(H,25,27).
What are the key properties of 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 373.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 25061074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).