1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone

C₁₁H₈F₆OCAS 85068-34-4270.17 g/mol

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Alkyl halide Ketone

Properties

Molecular formula: C₁₁H₈F₆O
Molar mass: 270.17 g/mol
Exact mass: 270.0479 Da
logP: 4.32Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

85068-34-4

SMILES

CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIKey

VLRWCHKOSBUGMB-UHFFFAOYSA-N

InChI

InChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3

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Names and synonyms

3 names

1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-
3′,5′-Bistrifluoromethylpropiophenone
1-[3,5-Bis(trifluoromethyl)phenyl]propan-1-one

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone

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-5-(trifluoromethyl)phenyl]-1-propanone207974-20-779 % similar 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-264 % similar Bis (trifluoromethyl)acetophenone30071-93-355 % similar Methyl 3,5-bistrifluoromethylbenzoate26107-80-250 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-350 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-850 % similar 1-[4-(1,1-Dimethylethyl)phenyl]-1-propanone71209-71-747 % similar [3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-246 % similar

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

Elsewhere

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