3-[3-(Trifluoromethyl)phenoxy]benzaldehyde

C₁₄H₉F₃O₂CAS 78725-46-9266.22 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₁₄H₉F₃O₂
Molar mass: 266.22 g/mol
Exact mass: 266.0555 Da
logP: 4.31Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

78725-46-9

SMILES

O=Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1

InChIKey

RPORRWJOHNQOHN-UHFFFAOYSA-N

InChI

InChI=1S/C14H9F3O2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1-9H

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Names and synonyms

2 names

Benzaldehyde, 3-[3-(trifluoromethyl)phenoxy]-
3-[(3-Trifluoromethylphenyl)oxy]benzaldehyde

Work with 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde

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)benzaldehyde454-89-773 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-565 % similar 3-Phenoxybenzaldehyde39515-51-063 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-455 % similar 3-(4-Methoxyphenoxy)benzaldehyde62373-80-255 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-35-352 % similar 1-Methoxy-3-(trifluoromethyl)benzene454-90-050 % similar 3,5-Bis(trifluoromethyl)benzaldehyde401-95-647 % similar

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

Same formula

4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-6 4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione893-33-4

Elsewhere

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