chempirical

2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl

C12H2F8CAS 3883-86-1298.14 g/mol

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Aryl halide

Properties

Molecular formula
C12H2F8
Molar mass
298.14 g/mol
Exact mass
298.0029 Da
Melting point
85 °C
logP
4.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
3883-86-1
SMILES
Fc1cc(F)c(F)c(-c2c(F)c(F)cc(F)c2F)c1F
InChIKey
QWCHHUZAAGRHDB-UHFFFAOYSA-N
InChI
InChI=1S/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H

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Names and synonyms

6 names
  • 1,1′-Biphenyl, 2,2′,3,3′,5,5′,6,6′-octafluoro-
  • Biphenyl, 2,2′,3,3′,5,5′,6,6′-octafluoro-
  • 2,2′,3,3′,5,5′,6,6′-Octafluorobiphenyl
  • NSC 96909
  • 2,3,5,6,2′,3′,5′,6′-Octafluorobiphenyl
  • 1,2,4,5-Tetrafluoro-3-(2,3,5,6-tetrafluorophenyl)benzene

Work with 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl

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

Pentafluorobenzene363-72-469 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-255 % similar 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-455 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-455 % similar 2,3,5,6-Tetrafluorophenol769-39-155 % similar 2,3,5,6-Tetrafluorothiophenol769-40-455 % similar 1,2,4,5-Tetrafluorobenzene327-54-853 % similar 1,2,3,5-Tetrafluorobenzene2367-82-053 % similar

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

Elsewhere

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