chempirical

3-Bb(F)B(F,F)-F

C21H16F4CAS 205806-87-7344.35 g/mol

Open in Covalent MOL file
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Aryl halide

Properties

Molecular formula
C21H16F4
Molar mass
344.35 g/mol
Exact mass
344.1188 Da
logP
6.53Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
205806-87-7
SMILES
CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1
InChIKey
YBPXWWAJMUUUAV-UHFFFAOYSA-N
InChI
InChI=1S/C21H16F4/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(22)10-15)16-11-19(23)21(25)20(24)12-16/h4-12H,2-3H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1,1′:4′,1′′-Terphenyl, 2′,3,4,5-tetrafluoro-4′′-propyl-
  • 2′,3,4,5-Tetrafluoro-4′′-propyl-1,1′:4′,1′′-terphenyl
  • PGU 3F

Work with 3-Bb(F)B(F,F)-F

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-Bb(F)B-395759-44-773 % similar 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4′-propyl-1,1′-biphenyl303186-20-155 % similar B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid909709-42-855 % similar 2,3′,4′,5′-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1′-biphenyl173837-35-952 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-846 % similar 4-Propylbiphenyl10289-45-944 % similar 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-543 % similar 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4′-ethyl-3,5-difluoro-1,1′-biphenyl303186-19-841 % similar

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

Elsewhere

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