2-[4-(Trifluoromethoxy)phenyl]propanedial

C₁₀H₇F₃O₃CAS 493036-48-9232.16 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₁₀H₇F₃O₃
Molar mass: 232.16 g/mol
Exact mass: 232.0347 Da
logP: 2.07Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

493036-48-9

SMILES

O=CC(C=O)c1ccc(OC(F)(F)F)cc1

InChIKey

XPCIZTVZSLNGCF-UHFFFAOYSA-N

InChI

InChI=1S/C10H7F3O3/c11-10(12,13)16-9-3-1-7(2-4-9)8(5-14)6-15/h1-6,8H

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Names and synonyms

2 names

Propanedial, 2-[4-(trifluoromethoxy)phenyl]-
Propanedial, [4-(trifluoromethoxy)phenyl]-

Work with 2-[4-(Trifluoromethoxy)phenyl]propanedial

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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