chempirical

2',4',6'-Trifluoroacetophenone

C8H5F3OCAS 51788-77-3174.12 g/mol

Open in Covalent MOL file
OFFF
Aryl halideKetone

Properties

Molecular formula
C8H5F3O
Molar mass
174.12 g/mol
Exact mass
174.0292 Da
logP
2.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
51788-77-3
SMILES
CC(=O)C1=C(C=C(C=C1F)F)F
InChIKey
FFJSZHCBWFPSJI-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,1H3

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Names and synonyms

1 names
  • 1-(2,4,6-Trifluorophenyl)ethan-1-one

Work with 2',4',6'-Trifluoroacetophenone

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-(2,6-Difluorophenyl)ethanone13670-99-061 % similar 1-(2,4-Difluorophenyl)ethanone364-83-058 % similar 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-958 % similar 3',5'-Difluoroacetophenone123577-99-157 % similar 2,4,6-Trifluorobenzoic acid28314-80-953 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-753 % similar 2,4,6-Trifluorobenzamide82019-50-953 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-853 % similar

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

Same formula

2′,4′,5′-Trifluoroacetophenone129322-83-4 1-(2,3,6-Trifluorophenyl)ethanone208173-22-2 3',4',5'-Trifluoroacetophenone220141-73-1 1-(2,3,4-Trifluorophenyl)ethan-1-one243448-15-9 2,2,2-Trifluoro-1-phenylethanone434-45-7 2-(Trifluoromethyl)benzaldehyde447-61-0 3-(Trifluoromethyl)benzaldehyde454-89-7 4-(Trifluoromethyl)benzaldehyde455-19-6

Elsewhere

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