3-(Trifluoromethoxy)iodobenzene

C7H4F3IOCAS 198206-33-6288.01 g/mol

Open in Covalent MOL file
IOFFF
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
198206-33-6
SMILES
C1=CC(=CC(=C1)I)OC(F)(F)F
InChIKey
UQZXQSQWKJZHCD-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H

Weigh it out

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

Names and synonyms

1 names
  • 1-Iodo-3-(trifluoromethoxy)benzene

Work with 3-(Trifluoromethoxy)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

3-(Trifluoromethoxy)phenol827-99-661 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-660 % similar 1-Chloro-3-(trifluoromethoxy)benzene772-49-660 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-758 % similar 3-(Trifluoromethoxy)anisole142738-94-156 % similar 3-(Trifluoromethoxy)aniline1535-73-556 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-056 % similar (Trifluoromethoxy)benzene456-55-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Iado-4-(trifluoromethoxy)benzene103962-05-6 1-Iodo-2-(trifluoromethoxy)benzene175278-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook