chempirical

5-Fluoro-2-(trifluoromethyl)benzaldehyde

C8H4F4OCAS 90381-08-1192.11 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
logP
2.66Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
90381-08-1
SMILES
O=Cc1cc(F)ccc1C(F)(F)F
InChIKey
MITVIZWTPVYRDO-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H

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

Names and synonyms

3 names
  • Benzaldehyde, 5-fluoro-2-(trifluoromethyl)-
  • 5-Fluoro-2-trifluoromethylbenzaldehyde
  • 2-Trifluoromethyl-5-fluorobenzaldehyde

Work with 5-Fluoro-2-(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

2,5-Bis(trifluoromethyl)benzaldehyde395-64-266 % similar 2-(Trifluoromethyl)benzaldehyde447-61-056 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-353 % similar 2,4-Difluorobenzaldehyde1550-35-252 % similar 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-950 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-050 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-149 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-649 % 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 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0 2,2,2,3′-Tetrafluoroacetophenone708-64-5 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9

Elsewhere

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