(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one

C12H12ClF2NO — CID 125494618

IUPAC(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@](C)(CC(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C12H12ClF2NO/c1-12(6-10(14)15)8-5-7(13)3-4-9(8)16(2)11(12)17/h3-5,10H,6H2,1-2H3/t12-/m1/s1
InChIKeyYSLGVSTYTBKOHF-GFCCVEGCSA-N
MW259.68 g/mol
LogP3.23
Rot. Bonds2

About (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one

(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one (PubChem CID 125494618) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one
PubChem CID125494618
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC Name(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@](C)(CC(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C12H12ClF2NO/c1-12(6-10(14)15)8-5-7(13)3-4-9(8)16(2)11(12)17/h3-5,10H,6H2,1-2H3/t12-/m1/s1
InChIKeyYSLGVSTYTBKOHF-GFCCVEGCSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-1,3-dimethyl-3-(2-nitroethyl)indol-2-one
CID 162413212
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
(3R)-5-chloro-3-hydroxy-1-methyl-3-prop-2-enylindol-2-one
CID 102579900
5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one
CID 155813012
(3R)-3-[(2S)-but-3-en-2-yl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 134965310
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one
CID 53327849
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 1259023
1,3-dimethyl-3-(nitromethyl)-5-(trifluoromethyl)indol-2-one
CID 102357531
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 888881

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one?
The IUPAC name of (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one (CID 125494618) is (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one?
The canonical SMILES for (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one is CN1C(=O)[C@](C)(CC(F)F)c2cc(Cl)ccc21.
What is the InChIKey of (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one?
The InChIKey is YSLGVSTYTBKOHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c1-12(6-10(14)15)8-5-7(13)3-4-9(8)16(2)11(12)17/h3-5,10H,6H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one?
(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one has a molecular weight of 259.68 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 125494618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).