chempirical

1-Fluoro-3-iodo-2-methylbenzene

C7H6FICAS 443-85-6236.03 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
114–116 °C (at 8 Torr)
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
443-85-6
SMILES
Cc1c(F)cccc1I
InChIKey
MSPXWJMFEVAKHQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-6(8)3-2-4-7(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, 1-fluoro-3-iodo-2-methyl-
  • Toluene, 2-fluoro-6-iodo-
  • 2-Fluoro-6-iodotoluene
  • 3-Fluoro-2-methyliodobenzene

Work with 1-Fluoro-3-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

1,3-Difluoro-2-methylbenzene443-84-565 % similar 3-Fluoro-O-xylene443-82-362 % similar 1-Iodo-2,3-dimethylbenzene31599-60-758 % similar 1-Fluoro-2-iodobenzene348-52-756 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-454 % similar 2-Chloro-6-fluorotoluene443-83-454 % similar 3-Fluoro-2-methylaniline443-86-754 % similar 3-Fluoro-2-methylphenol443-87-852 % 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-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