chempirical

2-Bb(F)B-3

C23H23FCAS 95759-44-7318.44 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C23H23F
Molar mass
318.44 g/mol
Exact mass
318.1784 Da
logP
6.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
95759-44-7
SMILES
CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
InChIKey
MBGFTFFIFLHYQU-UHFFFAOYSA-N
InChI
InChI=1S/C23H23F/c1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19/h6-16H,3-5H2,1-2H3

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Names and synonyms

4 names
  • 1,1′:4′,1′′-Terphenyl, 4′′-ethyl-2′-fluoro-4-propyl-
  • 4′′-Ethyl-2′-fluoro-4-propyl-1,1′:4′,1′′-terphenyl
  • PGP 2-3
  • PPFP23

Work with 2-Bb(F)B-3

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

3-Bb(F)B(F,F)-F205806-87-773 % similar B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid909709-42-855 % similar 4-Propylbiphenyl10289-45-944 % similar 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-4′-propyl-1,1′-biphenyl303186-20-143 % similar 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4′-ethyl-3,5-difluoro-1,1′-biphenyl303186-19-841 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-439 % similar 3Cb58743-76-339 % similar 1-Ethyl-4-fluorobenzene459-47-239 % similar

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

Elsewhere

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