6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline

C11H16FN — CID 23215469

IUPAC6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline
SMILESCC1CCC2=CC(C)(F)C=CC2N1
InChIInChI=1S/C11H16FN/c1-8-3-4-9-7-11(2,12)6-5-10(9)13-8/h5-8,10,13H,3-4H2,1-2H3
InChIKeyOQGLHDOOGMVNSQ-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.35
Rot. Bonds

About 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline

6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline (PubChem CID 23215469) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline
PubChem CID23215469
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline
SMILESCC1CCC2=CC(C)(F)C=CC2N1
InChIInChI=1S/C11H16FN/c1-8-3-4-9-7-11(2,12)6-5-10(9)13-8/h5-8,10,13H,3-4H2,1-2H3
InChIKeyOQGLHDOOGMVNSQ-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline 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 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline?
The IUPAC name of 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline (CID 23215469) is 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline.
What is the SMILES notation for 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline?
The canonical SMILES for 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline is CC1CCC2=CC(C)(F)C=CC2N1.
What is the InChIKey of 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline?
The InChIKey is OQGLHDOOGMVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-3-4-9-7-11(2,12)6-5-10(9)13-8/h5-8,10,13H,3-4H2,1-2H3.
What are the key properties of 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline?
6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline has a molecular weight of 181.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline is sourced from PubChem (CID 23215469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).