1-Iodo-2-(trifluoromethoxy)benzene

C7H4F3IOCAS 175278-00-9288.01 g/mol

Open in Covalent MOL file
FFFOI
Alkyl halideAryl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

1-Fluoro-2-(trifluoromethoxy)benzene2106-18-557 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-455 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-355 % similar 2-Trifluoromethoxyaniline1535-75-753 % similar 2-(Trifluoromethoxy)thiophenol175278-01-053 % similar 2-Trifluoromethoxyphenol32858-93-853 % similar 2-(Trifluoromethoxy)chlorobenzene450-96-453 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Iado-4-(trifluoromethoxy)benzene103962-05-6 3-(Trifluoromethoxy)iodobenzene198206-33-6

Elsewhere

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