1,3-Difluoro-2-iodobenzene

C6H3F2ICAS 13697-89-7239.99 g/mol

Open in Covalent MOL file
FFI
Aryl halide

Properties

Molecular formula
C6H3F2I
Molar mass
239.99 g/mol
Exact mass
239.9248 Da
Melting point
24.5–26.5 °C
Boiling point
55–56 °C (at 8 Torr)
logP
2.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
13697-89-7
SMILES
Fc1cccc(F)c1I
InChIKey
VQMXWPLTZBKNEH-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F2I/c7-4-2-1-3-5(8)6(4)9/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,3-difluoro-2-iodo-
  • 2,6-Difluoroiodobenzene
  • 1-Iodo-2,6-difluorobenzene

Work with 1,3-Difluoro-2-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-Chloro-3-fluoro-2-iodobenzene127654-70-068 % similar 1-Bromo-3-fluoro-2-iodobenzene450412-29-068 % similar 1-Fluoro-2-iodo-3-methylbenzene883502-14-568 % similar 3-Fluoro-2-iodoanisole7079-54-158 % similar 1,2,3-Trifluorobenzene1489-53-850 % similar 1-Fluoro-2-iodobenzene348-52-750 % similar 1,2-Difluorobenzene367-11-350 % similar 1-Chloro-2,6-difluorobenzene38361-37-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Difluoro-5-iodobenzene2265-91-0 1,4-Difluoro-2-iodobenzene2265-92-1 2,4-Difluoro-1-iodobenzene2265-93-2 1,2-Difluoro-4-iodobenzene64248-58-4

Elsewhere

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