3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane

C11H15F2NO — CID 145414261

IUPAC3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
SMILESCC.CC1=C2C(=CCC1)NC(=O)C2(F)F
InChIInChI=1S/C9H9F2NO.C2H6/c1-5-3-2-4-6-7(5)9(10,11)8(13)12-6;1-2/h4H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyMNZLZNAOQQQINS-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.77
Rot. Bonds

About 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane

3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane (PubChem CID 145414261) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
PubChem CID145414261
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
SMILESCC.CC1=C2C(=CCC1)NC(=O)C2(F)F
InChIInChI=1S/C9H9F2NO.C2H6/c1-5-3-2-4-6-7(5)9(10,11)8(13)12-6;1-2/h4H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyMNZLZNAOQQQINS-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane?
The IUPAC name of 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane (CID 145414261) is 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane.
What is the SMILES notation for 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane?
The canonical SMILES for 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane is CC.CC1=C2C(=CCC1)NC(=O)C2(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane?
The InChIKey is MNZLZNAOQQQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO.C2H6/c1-5-3-2-4-6-7(5)9(10,11)8(13)12-6;1-2/h4H,2-3H2,1H3,(H,12,13);1-2H3.
What are the key properties of 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane?
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane has a molecular weight of 215.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane is sourced from PubChem (CID 145414261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).