3-[3-(Trifluoromethyl)phenoxy]benzaldehyde

C14H9F3O2CAS 78725-46-9266.22 g/mol

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AldehydeAlkyl halideEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

3 names
  • Benzaldehyde, 3-[3-(trifluoromethyl)phenoxy]-
  • 3-[(3-Trifluoromethylphenyl)oxy]benzaldehyde
  • 3-(3-(Trifluoromethyl)phenoxy)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-(Trifluoromethoxy)benzaldehyde50823-91-158 % similar 3-(Trifluoromethoxy)benzaldehyde52771-21-858 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-455 % similar 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-055 % similar 3-(4-Methoxyphenoxy)benzaldehyde62373-80-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-2 3'-Trifluoromethylbiphenyl-3-carboxylic acid168619-05-4 3'-Trifluoromethylbiphenyl-4-carboxylic acid195457-70-6 4'-Trifluoromethylbiphenyl-4-carboxylic acid195457-71-7 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-7 4'-Trifluoromethyl-biphenyl-3-carboxylic acid199528-28-4 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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