3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one

C18H15F2NO3 — CID 172554054

IUPAC3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one
SMILESCC1(C)OCc2cc(C3(O)C(=O)Nc4c3ccc(F)c4F)ccc21
InChIInChI=1S/C18H15F2NO3/c1-17(2)11-4-3-10(7-9(11)8-24-17)18(23)12-5-6-13(19)14(20)15(12)21-16(18)22/h3-7,23H,8H2,1-2H3,(H,21,22)
InChIKeyRCJGGTHTERTYJD-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.92
Rot. Bonds1

About 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one

3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one (PubChem CID 172554054) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one
PubChem CID172554054
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC Name3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one
SMILESCC1(C)OCc2cc(C3(O)C(=O)Nc4c3ccc(F)c4F)ccc21
InChIInChI=1S/C18H15F2NO3/c1-17(2)11-4-3-10(7-9(11)8-24-17)18(23)12-5-6-13(19)14(20)15(12)21-16(18)22/h3-7,23H,8H2,1-2H3,(H,21,22)
InChIKeyRCJGGTHTERTYJD-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one with MolForge

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Related Compounds

3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one
CID 59477486
3-(3,4-difluorophenyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 25061074
1,1-dimethyl-3H-2-benzofuran-5-carboxylic acid
CID 59509474
6,7-difluoro-3-(7-fluoro-1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 172554029
6-[6,7-difluoro-3-(4-hydroxyphenyl)-2-oxo-1H-indol-3-yl]-3H-1,3-benzoxazol-2-one
CID 172554036
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 126553087
3-(2,3-dihydrothiophen-3-yl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 71057079
ethane;5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 144945393
6,7-difluoro-3-(4-hydroxyphenyl)-3-(1-hydroxypyrazol-4-yl)-1H-indol-2-one
CID 25059514
3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one;3-(cyclopentylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 160951688
4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
CID 174712977

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one (CID 172554054) is 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one is CC1(C)OCc2cc(C3(O)C(=O)Nc4c3ccc(F)c4F)ccc21.
What is the InChIKey of 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is RCJGGTHTERTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3/c1-17(2)11-4-3-10(7-9(11)8-24-17)18(23)12-5-6-13(19)14(20)15(12)21-16(18)22/h3-7,23H,8H2,1-2H3,(H,21,22).
What are the key properties of 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one?
3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 331.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dimethyl-3H-2-benzofuran-5-yl)-6,7-difluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 172554054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).