8-Fluoroquinoline

C9H6FNCAS 394-68-3147.15 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
1.215 g/mL (at 25 °C)
Boiling point
148 °C (at 30 Torr)
logP
2.37Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
394-68-3
SMILES
Fc1cccc2cccnc12
InChIKey
RNAAXKYOTPSFGV-UHFFFAOYSA-N
InChI
InChI=1S/C9H6FN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

Weigh it out

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

Names and synonyms

2 names
  • Quinoline, 8-fluoro-
  • NSC 51786

Work with 8-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

1,10-Phenanthroline66-71-758 % similar 8-Bromoquinoline16567-18-354 % similar 2-Chloro-3-fluoropyridine17282-04-154 % similar 8-Chloroquinoline611-33-654 % similar 2,3-Difluoropyridine1513-66-252 % similar 1,10-Phenanthroline hydrochloride3829-86-552 % similar 4,5-Phenanthroline monohydrate5144-89-852 % similar 8-Iodo quinoline1006-47-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluorocinnamonitrile24654-48-6 4-Fluoroisoquinoline394-67-2 6-Fluoroquinoline396-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook