2',4'-Difluoro-3'-(trifluoromethyl) acetophenone

C₉H₅F₅OCAS 1202679-46-6224.13 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₅F₅O
Molar mass: 224.13 g/mol
Exact mass: 224.0261 Da
logP: 3.19Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1202679-46-6

SMILES

CC(=O)C1=C(C(=C(C=C1)F)C(F)(F)F)F

InChIKey

SDZJUILLCDFDFP-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F5O/c1-4(15)5-2-3-6(10)7(8(5)11)9(12,13)14/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

2',4'-Difluoro-3'-(trifluoromethyl)acetophenone

Work with 2',4'-Difluoro-3'-(trifluoromethyl) 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-Fluoro-4-(trifluoromethyl)acetophenone122023-29-456 % similar 1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-149 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-849 % similar 1-(2,3,6-Trifluorophenyl)ethanone208173-22-249 % similar 4-Acetyl-3-fluorophenol98619-07-948 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-947 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-846 % similar 1-(2,4-Difluorophenyl)ethanone364-83-046 % similar

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

Same formula

3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-4

Elsewhere

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