1-(2,4,5-Trifluorophenyl)ethanone

C₈H₅F₃OCAS 129322-83-4174.12 g/mol

Open in Covalent MOL file

Aryl halide Ketone

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

4 names

Ethanone, 1-(2,4,5-trifluorophenyl)-
2,4,5-Trifluoroacetophenone
2′,4′,5′-Trifluoroacetophenone
1-(2,4,5-Trifluorophenyl)ethan-1-one

Work with 1-(2,4,5-Trifluorophenyl)ethanone

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'-Chloro-4',5'-difluoroacetophenone121872-94-466 % 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′,4′-Dichloro-5′-fluoroacetophenone704-10-958 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-856 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-356 % similar 4-Acetyl-3-fluorophenol98619-07-956 % similar

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

Same formula

1-(2,3,6-Trifluorophenyl)ethanone208173-22-2 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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