6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline

C11H16FN — CID 54444424

IUPAC6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
SMILESCC1CC=C2CC(C)(F)CC=C2N1
InChIInChI=1S/C11H16FN/c1-8-3-4-9-7-11(2,12)6-5-10(9)13-8/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCMHAIYQXEMIKKM-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.70
Rot. Bonds

About 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline

6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline (PubChem CID 54444424) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
PubChem CID54444424
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
SMILESCC1CC=C2CC(C)(F)CC=C2N1
InChIInChI=1S/C11H16FN/c1-8-3-4-9-7-11(2,12)6-5-10(9)13-8/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyCMHAIYQXEMIKKM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline?
The IUPAC name of 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline (CID 54444424) is 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline.
What is the SMILES notation for 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline?
The canonical SMILES for 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline is CC1CC=C2CC(C)(F)CC=C2N1.
What is the InChIKey of 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline?
The InChIKey is CMHAIYQXEMIKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-3-4-9-7-11(2,12)6-5-10(9)13-8/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline?
6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline has a molecular weight of 181.25 g/mol, XLogP of 2.70, 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-2,3,5,7-tetrahydro-1H-quinoline is sourced from PubChem (CID 54444424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).