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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

3 names

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

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

Similar compounds

4-(Trifluoromethoxy)benzaldehyde659-28-956 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-048 % similar 1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-547 % similar 4-Trifluoromethoxybenzyl bromide50824-05-047 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-647 % similar 4-(Trifluoromethoxy)thiophenol169685-29-447 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-747 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)cinnamic acid168833-80-5 3-[4-(Trifluoromethoxy)phenyl]acrylic acid783-13-1

Elsewhere

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