chempirical

2′,4′,5′-Trifluoroacetophenone

C8H5F3OCAS 129322-83-4174.12 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
Boiling point
63–64 °C (at 7.5 Torr)
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
129322-83-4
SMILES
CC(=O)c1cc(F)c(F)cc1F
InChIKey
GVTLJUZWNNFHMZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 2',4',5'-Trifluoroacetophenone
  • 1-(2,4,5-Trifluorophenyl)ethanone
  • Ethanone, 1-(2,4,5-trifluorophenyl)-
  • 2,4,5-Trifluoroacetophenone
  • 1-(2,4,5-Trifluorophenyl)ethan-1-one

Work with 2′,4′,5′-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

4'-Chloro-2',5'-difluoroacetophenone655-12-969 % similar 2'-Chloro-4',5'-difluoroacetophenone121872-94-466 % similar 2',3',4',5'-Tetrafluoroacetophenone66286-21-362 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-860 % similar 1-(2,4-Difluorophenyl)ethanone364-83-060 % similar 1-(3,4-Difluorophenyl)ethanone369-33-559 % similar 2'-Fluoro-5'-methylacetophenone446-07-158 % similar 2′,4′-Dichloro-5′-fluoroacetophenone704-10-958 % similar

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

Same formula

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 2',4',6'-Trifluoroacetophenone51788-77-3

Elsewhere

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