chempirical

4-Fluoro-2-iodo-1-methylbenzene

C7H6FICAS 13194-67-7236.03 g/mol

Open in Covalent MOL file
FI
Aryl halide

Properties

Molecular formula
C7H6FI
Molar mass
236.03 g/mol
Exact mass
235.9498 Da
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
13194-67-7
SMILES
Cc1ccc(F)cc1I
InChIKey
RZGYAMQMAVTAKP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 4-fluoro-2-iodo-1-methyl-
  • Toluene, 4-fluoro-2-iodo-
  • 2-Methyl-5-fluoroiodobenzene
  • 2-Iodo-4-fluorotoluene
  • 4-Fluoro-2-iodotoluene
  • 1-Fluoro-3-iodo-4-methyl-benzene

Work with 4-Fluoro-2-iodo-1-methylbenzene

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-Fluoro-1,2-dimethylbenzene452-64-263 % similar 2,4-Difluoro-1-methylbenzene452-76-658 % similar 2-Iodo-1,4-dimethylbenzene1122-42-554 % similar 2-Bromo-4-fluorotoluene1422-53-354 % similar 1-Chloro-4-fluoro-2-iodobenzene202982-68-154 % similar 5-Fluoro-2-methylaniline367-29-354 % similar 2-Chloro-4-fluoro-1-methylbenzene452-73-354 % similar 5-Fluoro-2-methylphenol452-85-754 % similar

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

Same formula

2-Fluoro-4-iodo-1-methylbenzene39998-81-7 1-Fluoro-3-iodo-2-methylbenzene443-85-6 1-Fluoro-4-iodo-2-methylbenzene452-68-6 2-Fluoro-1-iodo-4-methylbenzene452-79-9 1-Fluoro-2-iodo-4-methylbenzene452-82-4 4-Fluoro-1-iodo-2-methylbenzene66256-28-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook