chempirical

1-(5-Fluoro-2-iodophenyl)ethanone

C8H6FIOCAS 914225-70-0264.04 g/mol

Open in Covalent MOL file
OFI
Aryl halideKetone

Properties

Molecular formula
C8H6FIO
Molar mass
264.04 g/mol
Exact mass
263.9447 Da
logP
2.63Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
914225-70-0
SMILES
CC(=O)c1cc(F)ccc1I
InChIKey
NRLSRIONJVBZDT-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FIO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3

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

Names and synonyms

2 names
  • Ethanone, 1-(5-fluoro-2-iodophenyl)-
  • 1-(5-Fluoro-2-iodophenyl)ethan-1-one

Work with 1-(5-Fluoro-2-iodophenyl)ethanone

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-(2,5-Difluorophenyl)ethanone1979-36-864 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-360 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-460 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-160 % similar 1-(2,4-Difluorophenyl)ethanone364-83-059 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-956 % similar 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-256 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-656 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook