chempirical

2-Fluoro-1-iodo-4-methylbenzene

C7H6FICAS 452-79-9236.03 g/mol

Open in Covalent MOL file
IF
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
452-79-9
SMILES
Cc1ccc(I)c(F)c1
InChIKey
XVHYSMVSLDIUCM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 2-fluoro-1-iodo-4-methyl-
  • Toluene, 3-fluoro-4-iodo-
  • 3-Fluoro-4-iodotoluene

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

1-Iodo-2,4-dimethylbenzene4214-28-258 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-954 % similar 2-Iodo-1,4-dimethylbenzene1122-42-552 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-552 % similar 2-Iodo-5-methylbenzenamine13194-69-952 % similar 4-Bromo-3-fluorotoluene452-74-452 % similar 2-Fluoro-4-methylaniline452-80-252 % similar 2-Fluoro-4-methylphenol452-81-352 % 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 1-Fluoro-2-iodo-4-methylbenzene452-82-4 4-Fluoro-1-iodo-2-methylbenzene66256-28-8

Elsewhere

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