chempirical

4-(Trifluoromethyl)benzaldehyde

C8H5F3OCAS 455-19-6174.12 g/mol

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OFFF
AldehydeAlkyl halide

Properties

Molecular formula
C8H5F3O
Molar mass
174.12 g/mol
Exact mass
174.0292 Da
Melting point
120–122 °C
Boiling point
66–67 °C (at 13 Torr)
logP
2.52Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
455-19-6
SMILES
O=Cc1ccc(C(F)(F)F)cc1
InChIKey
BEOBZEOPTQQELP-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H

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

Names and synonyms

6 names
  • Benzaldehyde, 4-(trifluoromethyl)-
  • p-Tolualdehyde, α,α,α-trifluoro-
  • p-(Trifluoromethyl)benzaldehyde
  • α,α,α-Trifluoro-p-tolualdehyde
  • α,α,α-Trifluoro-4-tolualdehyde
  • 1-Formyl-4-trifluoromethylbenzene

Work with 4-(Trifluoromethyl)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

4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-088 % similar 3,5-Bis(trifluoromethyl)benzaldehyde401-95-662 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-459 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar 4-tert-Butylbenzaldehyde939-97-956 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-252 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-552 % similar

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

Same formula

1-(2,4,5-Trifluorophenyl)ethanone129322-83-4 1-(2,3,6-Trifluorophenyl)ethanone208173-22-2 2,2,2-Trifluoro-1-phenylethanone434-45-7 2-(Trifluoromethyl)benzaldehyde447-61-0 3-(Trifluoromethyl)benzaldehyde454-89-7

Elsewhere

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