1,3-Difluoro-5-iodobenzene

C₆H₃F₂ICAS 2265-91-0239.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃F₂I
Molar mass: 239.99 g/mol
Exact mass: 239.9248 Da
Boiling point: 58–60 °C
logP: 2.57Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

2265-91-0

SMILES

Fc1cc(F)cc(I)c1

InChIKey

QQCFOQNFPIAENW-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F2I/c7-4-1-5(8)3-6(9)2-4/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3-difluoro-5-iodo-
3,5-Difluoroiodobenzene
1-Iodo-3,5-difluorobenzene
3,5-Difluoro-1-iodobenzene

Work with 1,3-Difluoro-5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Trifluorobenzene372-38-360 % similar 1-Fluoro-3-iodobenzene1121-86-457 % similar 3-Fluoro-5-iodopyridine757950-13-352 % similar 1-Fluoro-4-iodobenzene352-34-150 % similar 3,5-Difluorotoluene117358-51-743 % similar 3,5-Difluorophenol2713-34-043 % similar 3,5-Difluoroaniline372-39-443 % similar 1-Bromo-3,5-difluorobenzene461-96-143 % similar

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

Same formula

1,3-Difluoro-2-iodobenzene13697-89-7 1,2-Difluoro-4-iodobenzene64248-58-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook