chempirical

1-Iodo-2-(trifluoromethyl)benzene

C7H4F3ICAS 444-29-1272.01 g/mol

Open in Covalent MOL file
FFFI
Alkyl halideAryl halide

Properties

Molecular formula
C7H4F3I
Molar mass
272.01 g/mol
Exact mass
271.9310 Da
logP
3.31Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
444-29-1
SMILES
FC(F)(F)c1ccccc1I
InChIKey
IGZGUYVVBABKOY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1-iodo-2-(trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-o-iodo-
  • o-(Trifluoromethyl)iodobenzene
  • α,α,α-Trifluoro-o-iodotoluene
  • 2-(Trifluoromethyl)iodobenzene
  • 2-Iodobenzotrifluoride
  • NSC 88291
  • 1-Trifluoromethyl-2-iodobenzene
  • 2-Trifluoromethylphenyl iodide
  • 2-Iodo-1-trifluoromethylbenzene

Work with 1-Iodo-2-(trifluoromethyl)benzene

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-Bis(trifluoromethyl)benzene433-95-462 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-854 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-150 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-550 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-650 % similar 2-Fluorobenzotrifluoride392-85-850 % similar 2-(Trifluoromethyl)benzonitrile447-60-950 % similar 2-(Trifluoromethyl)benzenethiol13333-97-648 % similar

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

Same formula

1-Iodo-3-(trifluoromethyl)benzene401-81-0 1-Iodo-4-(trifluoromethyl)benzene455-13-0

Elsewhere

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