3,3-difluoro-1,4-dimethylindol-2-one;ethane

C12H15F2NO — CID 164860376

IUPAC3,3-difluoro-1,4-dimethylindol-2-one;ethane
SMILESCC.Cc1cccc2c1C(F)(F)C(=O)N2C
InChIInChI=1S/C10H9F2NO.C2H6/c1-6-4-3-5-7-8(6)10(11,12)9(14)13(7)2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyJCKBAAIPGMDCJK-UHFFFAOYSA-N
MW227.25 g/mol
LogP3.09
Rot. Bonds

About 3,3-difluoro-1,4-dimethylindol-2-one;ethane

3,3-difluoro-1,4-dimethylindol-2-one;ethane (PubChem CID 164860376) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3,3-difluoro-1,4-dimethylindol-2-one;ethane.

Molecular Properties

Compound Name3,3-difluoro-1,4-dimethylindol-2-one;ethane
PubChem CID164860376
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3,3-difluoro-1,4-dimethylindol-2-one;ethane
SMILESCC.Cc1cccc2c1C(F)(F)C(=O)N2C
InChIInChI=1S/C10H9F2NO.C2H6/c1-6-4-3-5-7-8(6)10(11,12)9(14)13(7)2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyJCKBAAIPGMDCJK-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
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1,4-dimethyl-3-(trimethylsilylmethyl)-3-(2-trimethylsilylphenyl)indol-2-one
CID 138970889
1,3,5-trimethyl-4H-quinazolin-2-one
CID 89335300
1-(2-hydroxyethyl)-3,3,4-trimethylindol-2-one
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(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
CID 83853065
1,5,6,10-tetramethylphenazine
CID 20660475
(3R)-5-fluoro-1,3-dimethyl-3-(nitromethyl)quinoline-2,4-dione
CID 138979519
benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane
CID 90917596
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
1,2,2,3,3,4-hexamethylindole
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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,4-dimethylindol-2-one;ethane?
The IUPAC name of 3,3-difluoro-1,4-dimethylindol-2-one;ethane (CID 164860376) is 3,3-difluoro-1,4-dimethylindol-2-one;ethane.
What is the SMILES notation for 3,3-difluoro-1,4-dimethylindol-2-one;ethane?
The canonical SMILES for 3,3-difluoro-1,4-dimethylindol-2-one;ethane is CC.Cc1cccc2c1C(F)(F)C(=O)N2C.
What is the InChIKey of 3,3-difluoro-1,4-dimethylindol-2-one;ethane?
The InChIKey is JCKBAAIPGMDCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO.C2H6/c1-6-4-3-5-7-8(6)10(11,12)9(14)13(7)2;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-1,4-dimethylindol-2-one;ethane?
3,3-difluoro-1,4-dimethylindol-2-one;ethane has a molecular weight of 227.25 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,4-dimethylindol-2-one;ethane is sourced from PubChem (CID 164860376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).