3′-(Trifluoromethyl)acetophenone oxime

C₉H₈F₃NOCAS 99705-50-7203.16 g/mol

Open in Covalent MOL file

Alkyl halide Oxime

Properties

Molecular formula: C₉H₈F₃NO
Molar mass: 203.16 g/mol
Exact mass: 203.0558 Da
Melting point: 56–62 °C
logP: 2.90Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

99705-50-7

SMILES

CC(=NO)c1cccc(C(F)(F)F)c1

InChIKey

QQGVWMIRCZEUBB-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F3NO/c1-6(13-14)7-3-2-4-8(5-7)9(10,11)12/h2-5,14H,1H3

Weigh it out

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

Names and synonyms

3 names

Ethanone, 1-[3-(trifluoromethyl)phenyl]-, oxime
m-(Trifluoromethyl)acetophenone oxime
1-[3-(Trifluoromethyl)phenyl]ethanone oxime

Work with 3′-(Trifluoromethyl)acetophenone oxime

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

3′-(Trifluoromethyl)acetophenone349-76-855 % similar Acetophenonoxime613-91-253 % similar 3-(Trifluoromethyl)benzamide1801-10-151 % similar 3-(Trifluoromethyl)benzoic acid454-92-251 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-449 % similar Methyl 3-trifluoromethylbenzoate2557-13-348 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-248 % similar 3-(Trifluoromethyl)benzophenone728-81-448 % similar

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

Same formula

N-[2-(Trifluoromethyl)phenyl]acetamide344-62-7 N-[4-(Trifluoromethyl)phenyl]acetamide349-97-3 N-[3-(Trifluoromethyl)phenyl]acetamide351-36-0

Elsewhere

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