6-Fluoroquinoline

C₉H₆FNCAS 396-30-5147.15 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed95.2% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

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 Quinoline91-22-552 % similar Quinolin-6-ylboronic Acid (contains varying amounts of Anhydride)376581-24-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluorocinnamonitrile24654-48-6 4-Fluoroisoquinoline394-67-2 8-Fluoroquinoline394-68-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook