chempirical

2,2,2-Trifluoro-4'-methoxyacetophenone

C9H7F3O2CAS 711-38-6204.15 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
2.44Crippen 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
711-38-6
SMILES
COC1=CC=C(C=C1)C(=O)C(F)(F)F
InChIKey
NCJZVRPXSSYDBG-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3

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Names and synonyms

1 names
  • 4'-Methoxy-2,2,2-trifluoroacetophenone

Work with 2,2,2-Trifluoro-4'-methoxyacetophenone

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-(Trifluoroacetyl)toluene394-59-259 % similar Acetanisole100-06-156 % similar 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-356 % similar 4,4′-Dimethoxybenzil1226-42-255 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-755 % similar 4,4′-Dimethoxybenzophenone90-96-055 % similar 4'-Bromo-2,2,2-trifluoroacetophenone16184-89-755 % similar 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-255 % 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 2'-(Trifluoromethoxy)acetophenone220227-93-0

Elsewhere

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