chempirical

2,3,5,6-Tetrafluoroterephthalaldehyde

C8H2F4O2CAS 3217-47-8206.10 g/mol

Open in Covalent MOL file
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AldehydeAryl halide

Properties

Molecular formula
C8H2F4O2
Molar mass
206.10 g/mol
Exact mass
205.9991 Da
logP
1.87Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3217-47-8
SMILES
C(=O)C1=C(C(=C(C(=C1F)F)C=O)F)F
InChIKey
WJHRAPYKYJKACM-UHFFFAOYSA-N
InChI
InChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H

Weigh it out

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

Work with 2,3,5,6-Tetrafluoroterephthalaldehyde

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

Pentafluorobenzaldehyde653-37-293 % similar 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde108574-98-774 % similar 2,3,5,6-Tetrafluorobenzaldehyde19842-76-362 % similar 2,3,6-Trifluorobenzaldehyde104451-70-952 % similar 2,6-Difluorobenzaldehyde437-81-043 % similar 3-Chloro-2,6-difluorobenzaldehyde190011-87-143 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-143 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-143 % similar

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

Elsewhere

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