chempirical

4-Fluoro-1-iodo-2-methylbenzene

C7H6FICAS 66256-28-8236.03 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
Boiling point
138–139 °C (at 9 Torr)
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
66256-28-8
SMILES
Cc1cc(F)ccc1I
InChIKey
VWBMDRDQJLUMMS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 4-fluoro-1-iodo-2-methyl-
  • 5-Fluoro-2-iodotoluene
  • 2-Methyl-4-fluoroiodobenzene
  • 4-Fluoro-2-methyliodobenzene

Work with 4-Fluoro-1-iodo-2-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 1,4-Difluoro-2-methylbenzene452-67-558 % similar 1-Iodo-2,4-dimethylbenzene4214-28-254 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-454 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-154 % similar 2-Bromo-5-fluorotoluene452-63-154 % similar 4-Fluoro-2-methylaniline452-71-154 % similar 4-Fluoro-2-methylphenol452-72-254 % similar

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

Same formula

4-Fluoro-2-iodo-1-methylbenzene13194-67-7 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

Elsewhere

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