chempirical

Pentafluorobenzaldehyde

C7HF5OCAS 653-37-2196.08 g/mol

Open in Covalent MOL file
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AldehydeAryl halide

Properties

Molecular formula
C7HF5O
Molar mass
196.08 g/mol
Exact mass
195.9948 Da
Melting point
20 °C
Boiling point
167 °C
logP
2.19Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
653-37-2
SMILES
O=Cc1c(F)c(F)c(F)c(F)c1F
InChIKey
QJXCFMJTJYCLFG-UHFFFAOYSA-N
InChI
InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H

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

Names and synonyms

6 names
  • Benzaldehyde, 2,3,4,5,6-pentafluoro-
  • Benzaldehyde, pentafluoro-
  • 2,3,4,5,6-Pentafluorobenzaldehyde
  • Perfluorobenzaldehyde
  • Formylpentafluorobenzene
  • NSC 96967

Work with Pentafluorobenzaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-2,3,5,6-tetrafluorobenzaldehyde108574-98-770 % similar 2,3,6-Trifluorobenzaldehyde104451-70-950 % similar Pentafluorostyrene653-34-943 % similar 2,6-Difluorobenzaldehyde437-81-042 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-141 % similar 3,4,5-Trifluorobenzaldehyde132123-54-740 % similar Hexafluorobenzene392-56-340 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook