3',5'-Difluoro-4'-(trifluoromethyl)acetophenone

C₉H₅F₅OCAS 1189359-39-4224.13 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

1189359-39-4

SMILES

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

InChIKey

RALJIWTUZNHFGT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3',5'-Difluoro-4'-(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

1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-863 % similar Bis (trifluoromethyl)acetophenone30071-93-359 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-856 % similar 1-(3,4-Difluorophenyl)ethanone369-33-555 % similar 2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-450 % similar 3',5'-Difluoroacetophenone123577-99-150 % similar 4-(Trifluoromethyl)acetophenone709-63-750 % similar 3′-(Trifluoromethyl)acetophenone349-76-849 % similar

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

Same formula

2',4'-Difluoro-3'-(trifluoromethyl) acetophenone1202679-46-6

Elsewhere

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