2-[[Bis(4-fluorophenyl)methyl]sulfinyl]-N-hydroxyacetamide

C₁₅H₁₃F₂NO₃SCAS 90212-80-9325.33 g/mol

Open in Covalent MOL file

Aryl halide Oxime Sulfoxide

Properties

Molecular formula: C₁₅H₁₃F₂NO₃S
Molar mass: 325.33 g/mol
Exact mass: 325.0584 Da
logP: 3.15Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Identifiers

CAS number

90212-80-9

SMILES

O=S(CC(O)=NO)C(c1ccc(F)cc1)c1ccc(F)cc1

InChIKey

VKGUUSVYPXTWMA-UHFFFAOYSA-N

InChI

InChI=1S/C15H13F2NO3S/c16-12-5-1-10(2-6-12)15(22(21)9-14(19)18-20)11-3-7-13(17)8-4-11/h1-8,15,20H,9H2,(H,18,19)

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Names and synonyms

4 names

Acetamide, 2-[[bis(4-fluorophenyl)methyl]sulfinyl]-N-hydroxy-
Fladrafinil
CRL 40,941
Fluorafinil

Work with 2-[[Bis(4-fluorophenyl)methyl]sulfinyl]-N-hydroxyacetamide

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

Elsewhere

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