chempirical

6-Fluoroquinoline

C9H6FNCAS 396-30-5147.15 g/mol

Open in Covalent MOL file
FN
Aryl halide

Properties

Molecular formula
C9H6FN
Molar mass
147.15 g/mol
Exact mass
147.0484 Da
Density
1.2 g/mL (at 25 °C)
Boiling point
124 °C (at 30 Torr)
logP
2.37Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
396-30-5
SMILES
Fc1ccc2ncccc2c1
InChIKey
RMDCSDVIVXJELQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6FN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

1 names
  • Quinoline, 6-fluoro-

Work with 6-Fluoroquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Chloroquinoline612-57-760 % similar 6-Iodoquinoline13327-31-655 % similar 6-Bromoquinoline5332-25-255 % similar 6-Aminoquinoline580-15-455 % similar 6-Hydroxyquinoline580-16-555 % similar 6-Methylquinoline91-62-355 % similar 6-Quinolinemethanol100516-88-950 % similar 6-Isopropylquinoline135-79-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

8-Fluoroquinoline394-68-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook