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

C9H9F2NO — CID 145414262

IUPAC3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one
SMILESCC1=C2C(=CCC1)NC(=O)C2(F)F
InChIInChI=1S/C9H9F2NO/c1-5-3-2-4-6-7(5)9(10,11)8(13)12-6/h4H,2-3H2,1H3,(H,12,13)
InChIKeyMVOHWPOCZIGMAB-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.75
Rot. Bonds

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

3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one (PubChem CID 145414262) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one
PubChem CID145414262
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one
SMILESCC1=C2C(=CCC1)NC(=O)C2(F)F
InChIInChI=1S/C9H9F2NO/c1-5-3-2-4-6-7(5)9(10,11)8(13)12-6/h4H,2-3H2,1H3,(H,12,13)
InChIKeyMVOHWPOCZIGMAB-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one?
The IUPAC name of 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one (CID 145414262) is 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one.
What is the SMILES notation for 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one?
The canonical SMILES for 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one is 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?
The InChIKey is MVOHWPOCZIGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5-3-2-4-6-7(5)9(10,11)8(13)12-6/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of 3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one?
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one has a molecular weight of 185.17 g/mol, XLogP of 1.75, 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 is sourced from PubChem (CID 145414262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).