1-(4-Fluorophenyl)imidazole

C₉H₇FN₂CAS 21441-24-7162.17 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₇FN₂
Molar mass: 162.17 g/mol
Exact mass: 162.0593 Da
logP: 2.01Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

21441-24-7

SMILES

C1=CC(=CC=C1N2C=CN=C2)F

InChIKey

KKKSMWMXKUAZHK-UHFFFAOYSA-N

InChI

InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H

Weigh it out

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

Work with 1-(4-Fluorophenyl)imidazole

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

4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-667 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-362 % similar 1-Phenylimidazole7164-98-961 % similar 1-(4-Bromophenyl)imidazole10040-96-760 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-860 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-360 % similar 1-(4-Trifluoromethylphenyl)imidazole25371-98-659 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Fluorophenyl)-1H-pyrazole154258-82-9 1-(3-Fluorophenyl)imidazole25372-42-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook