1-Fluoro-3-iodobenzene

C6H4FICAS 1121-86-4222.00 g/mol

Open in Covalent MOL file
FI
Aryl halide

Properties

Molecular formula
C6H4FI
Molar mass
222.00 g/mol
Exact mass
221.9342 Da
Density
1.9033 g/mL (at 25 °C)
logP
2.43Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1121-86-4
SMILES
Fc1cccc(I)c1
InChIKey
VSKSBSORLCDRHS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-fluoro-3-iodo-
  • m-Fluoroiodobenzene
  • m-Iodofluorobenzene
  • 3-Iodofluorobenzene
  • m-Fluorophenyl iodide
  • 3-Fluorophenyl iodide
  • m-Iodophenyl fluoride
  • 3-Fluoroiodobenzene
  • NSC 10279
  • 1-Iodo-3-fluorobenzene
  • 3-Fluoro-1-iodobenzene

Work with 1-Fluoro-3-iodobenzene

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-Diiodobenzene626-00-663 % similar 1,3-Difluorobenzene372-18-958 % similar 1,3-Difluoro-5-iodobenzene2265-91-057 % similar 3,3'-Difluoro-1,1'-biphenyl396-64-550 % similar 1-Chloro-3-iodobenzene625-99-050 % similar 1-Iodo-3-(trifluoromethyl)benzene401-81-048 % similar 3-Iodobiphenyl20442-79-948 % similar 1-Bromo-3-iodobenzene591-18-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Fluoro-2-iodobenzene348-52-7 1-Fluoro-4-iodobenzene352-34-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook