chempirical

4-Fluoro-3-(trifluoromethyl)benzaldehyde

C8H4F4OCAS 67515-60-0192.11 g/mol

Open in Covalent MOL file
OFFFF
AldehydeAlkyl halideAryl halide

Properties

Molecular formula
C8H4F4O
Molar mass
192.11 g/mol
Exact mass
192.0198 Da
Boiling point
70–72 °C (at 9 Torr)
logP
2.66Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
67515-60-0
SMILES
O=Cc1ccc(F)c(C(F)(F)F)c1
InChIKey
BIUDHHGROGJSHN-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H

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Names and synonyms

5 names
  • Benzaldehyde, 4-fluoro-3-(trifluoromethyl)-
  • α,α,α,4-Tetrafluoro-m-tolylaldehyde
  • 4-Fluoro-3-trifluoromethylbenzaldehyde
  • 4-Fluoro-5-(trifluoromethyl)benzaldehyde
  • 3-Trifluoromethyl-4-fluorobenzaldehyde

Work with 4-Fluoro-3-(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-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-662 % similar 3,4-Difluorobenzaldehyde34036-07-260 % similar 4-Methoxy-3-(trifluoromethyl)benzaldehyde50823-87-557 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-453 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-553 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-953 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-350 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-350 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-3 2,2,2,3′-Tetrafluoroacetophenone708-64-5 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-1

Elsewhere

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