1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one

C12H15F2NO — CID 141437911

IUPAC1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one
SMILESCC1(C)C(=O)N(CC(F)F)C2=CC=CCC21
InChIInChI=1S/C12H15F2NO/c1-12(2)8-5-3-4-6-9(8)15(11(12)16)7-10(13)14/h3-4,6,8,10H,5,7H2,1-2H3
InChIKeyVFLHVWKIALKGAP-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.58
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one

1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one (PubChem CID 141437911) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one
PubChem CID141437911
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one
SMILESCC1(C)C(=O)N(CC(F)F)C2=CC=CCC21
InChIInChI=1S/C12H15F2NO/c1-12(2)8-5-3-4-6-9(8)15(11(12)16)7-10(13)14/h3-4,6,8,10H,5,7H2,1-2H3
InChIKeyVFLHVWKIALKGAP-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-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 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one (CID 141437911) is 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one is CC1(C)C(=O)N(CC(F)F)C2=CC=CCC21.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one?
The InChIKey is VFLHVWKIALKGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(2)8-5-3-4-6-9(8)15(11(12)16)7-10(13)14/h3-4,6,8,10H,5,7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one?
1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one has a molecular weight of 227.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141437911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).