3-(Trifluoromethoxy)anisole

C8H7F3O2CAS 142738-94-1192.14 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEther

Properties

Molecular formula
C8H7F3O2
Molar mass
192.14 g/mol
Exact mass
192.0398 Da
logP
2.59Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
142738-94-1
SMILES
COC1=CC(=CC=C1)OC(F)(F)F
InChIKey
OKSRAPDSZKICKZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3

Weigh it out

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

Work with 3-(Trifluoromethoxy)anisole

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

1,3-Dimethoxybenzene151-10-064 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-660 % similar 1-Chloro-3-(trifluoromethoxy)benzene772-49-660 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-758 % similar 3-(Trifluoromethoxy)aniline1535-73-556 % similar 3-(Trifluoromethoxy)iodobenzene198206-33-656 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-056 % similar 1-Methoxy-3-(trifluoromethyl)benzene454-90-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethoxy)benzenemethanol1736-74-9 2-(Trifluoromethoxy)benzenemethanol175278-07-6 3-(Trifluoromethoxy)benzyl alcohol50823-90-0 1-Methoxy-4-(trifluoromethoxy)benzene710-18-9

Elsewhere

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