1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione

C17H21F2NO2 — CID 150079195

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione
SMILESCC1C(=O)N(CC2CCCC(F)(F)C2)C2=C1C=CC(=O)C2C
InChIInChI=1S/C17H21F2NO2/c1-10-13-5-6-14(21)11(2)15(13)20(16(10)22)9-12-4-3-7-17(18,19)8-12/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyDQXDXBZIQPVQSH-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.32
Rot. Bonds2

About 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione

1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione (PubChem CID 150079195) has the molecular formula C17H21F2NO2 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione
PubChem CID150079195
Molecular FormulaC17H21F2NO2
Molecular Weight309.36 g/mol
Exact Mass309.15
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione
SMILESCC1C(=O)N(CC2CCCC(F)(F)C2)C2=C1C=CC(=O)C2C
InChIInChI=1S/C17H21F2NO2/c1-10-13-5-6-14(21)11(2)15(13)20(16(10)22)9-12-4-3-7-17(18,19)8-12/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyDQXDXBZIQPVQSH-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione 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-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione (CID 150079195) is 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione is CC1C(=O)N(CC2CCCC(F)(F)C2)C2=C1C=CC(=O)C2C.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione?
The InChIKey is DQXDXBZIQPVQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO2/c1-10-13-5-6-14(21)11(2)15(13)20(16(10)22)9-12-4-3-7-17(18,19)8-12/h5-6,10-12H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione?
1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione has a molecular weight of 309.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-3,7-dimethyl-3,7-dihydroindole-2,6-dione is sourced from PubChem (CID 150079195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).