3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one

C17H13F2NO3 — CID 102346465

IUPAC3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13F2NO3/c1-20-13-10-6-5-9-12(13)16(23,15(20)22)17(18,19)14(21)11-7-3-2-4-8-11/h2-10,23H,1H3
InChIKeyVSCPIDHBHYFTOI-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.37
Rot. Bonds3

About 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one

3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one (PubChem CID 102346465) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
PubChem CID102346465
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13F2NO3/c1-20-13-10-6-5-9-12(13)16(23,15(20)22)17(18,19)14(21)11-7-3-2-4-8-11/h2-10,23H,1H3
InChIKeyVSCPIDHBHYFTOI-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one
CID 12030607
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
CID 101445842
3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one
CID 11196681
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
(3S)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281206
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one
CID 135028525
N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide
CID 11197628

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one?
The IUPAC name of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one (CID 102346465) is 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one is CN1C(=O)C(O)(C(F)(F)C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one?
The InChIKey is VSCPIDHBHYFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c1-20-13-10-6-5-9-12(13)16(23,15(20)22)17(18,19)14(21)11-7-3-2-4-8-11/h2-10,23H,1H3.
What are the key properties of 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one?
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one has a molecular weight of 317.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 102346465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).