chempirical

B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid

C15H16BFO2CAS 909709-42-8258.10 g/mol

Open in Covalent MOL file
BOHOHF
Aryl halideBoronic acid

Properties

Molecular formula
C15H16BFO2
Molar mass
258.10 g/mol
Exact mass
258.1227 Da
logP
2.13Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
909709-42-8
SMILES
CCCc1ccc(-c2ccc(B(O)O)c(F)c2)cc1
InChIKey
XZGCBSYWWZAXRC-UHFFFAOYSA-N
InChI
InChI=1S/C15H16BFO2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(18)19)15(17)10-13/h4-10,18-19H,2-3H2,1H3

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

Names and synonyms

6 names
  • Boronic acid, B-(3-fluoro-4′-propyl[1,1′-biphenyl]-4-yl)-
  • Boronic acid, (3-fluoro-4′-propyl[1,1′-biphenyl]-4-yl)-
  • [3-Fluoro-4′-propylbiphenyl-4-yl]boronic acid
  • [2-Fluoro-4-(4-propylphenyl)phenyl]boronic acid
  • (3-Fluoro-4′-propyl-[1,1′-biphenyl]-4-yl)boronic acid
  • (3-Fluoro-4′-propyl-[1,1′-biphenyl]-4-yl)boronicacid

Work with B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid

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

B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-457 % similar 3-Bb(F)B(F,F)-F205806-87-755 % similar 2-Bb(F)B-395759-44-755 % similar (4-Propylphenyl)boronic acid134150-01-949 % similar 2,4-Difluorophenylboronic acid144025-03-647 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-545 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-445 % similar 4-Propylbiphenyl10289-45-943 % similar

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

Elsewhere

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