6-fluoro-2,8a-dimethyl-8H-quinoline

C11H12FN — CID 130413123

IUPAC6-fluoro-2,8a-dimethyl-8H-quinoline
SMILESCC1=NC2(C)CC=C(F)C=C2C=C1
InChIInChI=1S/C11H12FN/c1-8-3-4-9-7-10(12)5-6-11(9,2)13-8/h3-5,7H,6H2,1-2H3
InChIKeyIDEBDJMMUDLDSP-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.96
Rot. Bonds

About 6-fluoro-2,8a-dimethyl-8H-quinoline

6-fluoro-2,8a-dimethyl-8H-quinoline (PubChem CID 130413123) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 6-fluoro-2,8a-dimethyl-8H-quinoline.

Molecular Properties

Compound Name6-fluoro-2,8a-dimethyl-8H-quinoline
PubChem CID130413123
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name6-fluoro-2,8a-dimethyl-8H-quinoline
SMILESCC1=NC2(C)CC=C(F)C=C2C=C1
InChIInChI=1S/C11H12FN/c1-8-3-4-9-7-10(12)5-6-11(9,2)13-8/h3-5,7H,6H2,1-2H3
InChIKeyIDEBDJMMUDLDSP-UHFFFAOYSA-N
XLogP2.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,8a-dimethyl-8H-quinoline?
The IUPAC name of 6-fluoro-2,8a-dimethyl-8H-quinoline (CID 130413123) is 6-fluoro-2,8a-dimethyl-8H-quinoline.
What is the SMILES notation for 6-fluoro-2,8a-dimethyl-8H-quinoline?
The canonical SMILES for 6-fluoro-2,8a-dimethyl-8H-quinoline is CC1=NC2(C)CC=C(F)C=C2C=C1.
What is the InChIKey of 6-fluoro-2,8a-dimethyl-8H-quinoline?
The InChIKey is IDEBDJMMUDLDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-8-3-4-9-7-10(12)5-6-11(9,2)13-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-fluoro-2,8a-dimethyl-8H-quinoline?
6-fluoro-2,8a-dimethyl-8H-quinoline has a molecular weight of 177.22 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,8a-dimethyl-8H-quinoline is sourced from PubChem (CID 130413123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).