1,3-Difluoro-2-iodobenzene

C₆H₃F₂ICAS 13697-89-7239.99 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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-Fluoro-2-iodobenzene348-52-750 % similar 1,2-Difluorobenzene367-11-350 % similar 1-Fluoro-3-iodo-2-methylbenzene443-85-646 % similar 2,6-Difluorophenol28177-48-245 % similar 1,3-Difluoro-2-methylbenzene443-84-545 % similar 2,6-Difluoroaniline5509-65-945 % similar 2-Bromo-1,3-difluorobenzene64248-56-245 % similar

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

Same formula

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

Elsewhere

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