chempirical

2'-(Trifluoromethoxy)acetophenone

C9H7F3O2CAS 220227-93-0204.15 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEtherKetone

Properties

Molecular formula
C9H7F3O2
Molar mass
204.15 g/mol
Exact mass
204.0398 Da
logP
2.79Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
220227-93-0
SMILES
CC(=O)C1=CC=CC=C1OC(F)(F)F
InChIKey
XTXSTESGCXKUIH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3

Weigh it out

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Work with 2'-(Trifluoromethoxy)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

2-(Trifluoromethoxy)benzamide127979-74-263 % similar Methyl 2-(trifluoromethoxy)benzoate148437-99-462 % similar 2-(Trifluoromethoxy)benzoic acid150436-84-361 % similar 2-(Trifluoromethoxy)benzoyl chloride162046-61-961 % similar 2-(Trifluoromethoxy)benzoic acid1979-29-961 % similar 2′-Methoxyacetophenone579-74-859 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-954 % similar 1-(2-Ethoxyphenyl)ethanone2142-67-854 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-5 4'-Hydroxy-3'-(trifluoromethyl)acetophenone149105-11-3 3'-(Trifluoromethoxy)acetophenone170141-63-6 Methyl 3-trifluoromethylbenzoate2557-13-3

Elsewhere

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