4-Fluoroimidazole

C₃H₃FN₂CAS 30086-17-086.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₃FN₂
Molar mass: 86.07 g/mol
Exact mass: 86.0280 Da
logP: 0.55Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

30086-17-0

SMILES

C1=C(NC=N1)F

InChIKey

HWUPTWDARIVICI-UHFFFAOYSA-N

InChI

InChI=1S/C3H3FN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-1H-imidazole

Work with 4-Fluoroimidazole

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

5-(Trifluoromethyl)-1H-imidazole33468-69-842 % similar 5-Chloro-1H-imidazole15965-31-842 % similar 4-Bromoimidazole2302-25-242 % similar 4-Methylimidazole822-36-642 % similar Imidazole-4-carboxaldehyde3034-50-237 % similar 1H-Imidazole-5-methanol822-55-937 % similar 4-Phenylimidazole670-95-136 % similar 4,5-Diaminopyrimidine13754-19-334 % similar

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

Same formula

4-Fluoro-1H-pyrazole35277-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook