4'-Methoxy-3'-(trifluoromethyl)acetophenone

C10H9F3O2CAS 149105-10-2218.18 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEtherKetone

Properties

Molecular formula
C10H9F3O2
Molar mass
218.18 g/mol
Exact mass
218.0555 Da
logP
2.92Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
149105-10-2
SMILES
CC(=O)C1=CC(=C(C=C1)OC)C(F)(F)F
InChIKey
ABUSWLOUSQWWLA-UHFFFAOYSA-N
InChI
InChI=1S/C10H9F3O2/c1-6(14)7-3-4-9(15-2)8(5-7)10(11,12)13/h3-5H,1-2H3

Weigh it out

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

Work with 4'-Methoxy-3'-(trifluoromethyl)acetophenone

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

4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-568 % similar 4-Methoxy-3-(trifluoromethyl)benzoyl chloride98187-18-968 % similar 3,4-Dimethoxyacetophenone1131-62-064 % similar 4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-462 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-462 % similar 4'-Chloro-3'-(trifluoromethyl)acetophenone129825-11-260 % similar 4'-Hydroxy-3'-(trifluoromethyl)acetophenone149105-11-360 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-methyl-3-(trifluoromethyl)benzoate346603-63-2 3-(4-(Trifluoromethyl)phenyl)propionic Acid53473-36-2 Ethyl o-(trifluoromethyl)benzoate577-62-8 Ethyl 4-trifluoromethylbenzoate583-02-8 3-(3-Trifluoromethylphenyl)propanoic acid585-50-2 Ethyl 3-(trifluoromethyl)benzoate76783-59-0 2-(Trifluoromethyl)benzenepropanoic acid94022-99-8

Elsewhere

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