1-Iodo-2-(trifluoromethoxy)benzene

C₇H₄F₃IOCAS 175278-00-9288.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄F₃IO
Molar mass: 288.01 g/mol
Exact mass: 287.9259 Da
logP: 3.19Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

175278-00-9

SMILES

FC(F)(F)Oc1ccccc1I

InChIKey

GYBMJVZOZTVDKS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3IO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-iodo-2-(trifluoromethoxy)-
2-Iodo-1-trifluoromethoxybenzene
2-Trifluoromethoxy-1-iodobenzene
2-Trifluoromethoxyphenyl iodide

Work with 1-Iodo-2-(trifluoromethoxy)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

2-Trifluoromethoxyaniline1535-75-753 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-450 % similar 2-(Trifluoromethoxy)benzenemethanamine175205-64-848 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-648 % similar 2-Iodoanisole529-28-248 % similar (Trifluoromethoxy)benzene456-55-346 % similar 2-(Trifluoromethoxy)benzamide127979-74-246 % similar 2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-144 % similar

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

Same formula

1-Iado-4-(trifluoromethoxy)benzene103962-05-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook