6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline

C11H18FN — CID 123554630

IUPAC6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline
SMILESCC1(C)CCC2CC(F)C=CC2N1
InChIInChI=1S/C11H18FN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,8-10,13H,5-7H2,1-2H3
InChIKeyZJNTWPSXKJTASC-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.43
Rot. Bonds

About 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline

6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline (PubChem CID 123554630) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline.

Molecular Properties

Compound Name6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline
PubChem CID123554630
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline
SMILESCC1(C)CCC2CC(F)C=CC2N1
InChIInChI=1S/C11H18FN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,8-10,13H,5-7H2,1-2H3
InChIKeyZJNTWPSXKJTASC-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline?
The IUPAC name of 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline (CID 123554630) is 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline.
What is the SMILES notation for 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline?
The canonical SMILES for 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline is CC1(C)CCC2CC(F)C=CC2N1.
What is the InChIKey of 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline?
The InChIKey is ZJNTWPSXKJTASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,8-10,13H,5-7H2,1-2H3.
What are the key properties of 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline?
6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline has a molecular weight of 183.27 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline is sourced from PubChem (CID 123554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).