chempirical

4′-Trifluoromethylbiphenyl-4-carboxaldehyde

C14H9F3OCAS 90035-34-0250.22 g/mol

Open in Covalent MOL file
OFFF
AldehydeAlkyl halide

Properties

Molecular formula
C14H9F3O
Molar mass
250.22 g/mol
Exact mass
250.0605 Da
logP
4.18Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
90035-34-0
SMILES
O=Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIKey
HIMSXOOFWOOYFK-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-9H

Weigh it out

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

Names and synonyms

6 names
  • [1,1′-Biphenyl]-4-carboxaldehyde, 4′-(trifluoromethyl)-
  • 4′-(Trifluoromethyl)[1,1′-biphenyl]-4-carboxaldehyde
  • 4′-Trifluoromethyl-1,1′-biphenyl-4-carboxaldehyde
  • 4-[4-(Trifluoromethyl)phenyl]benzaldehyde
  • 4′-(Trifluoromethyl)biphenyl-4-aldehyde
  • 4′-(Trifluoromethyl)biphenyl-4-carbaldehyde

Work with 4′-Trifluoromethylbiphenyl-4-carboxaldehyde

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-(Trifluoromethyl)benzaldehyde455-19-688 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-863 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-256 % similar 3,5-Bis(trifluoromethyl)benzaldehyde401-95-655 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-854 % similar 3-(Trifluoromethyl)benzaldehyde454-89-753 % similar 1,4-Bis(trifluoromethyl)benzene433-19-250 % similar 1,4-Benzenedicarboxaldehyde623-27-850 % similar

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

Same formula

3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-4 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-5 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-3 Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-1 3-(Trifluoromethyl)benzophenone728-81-4 4′-Trifluoromethylbenzophenone728-86-9

Elsewhere

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