Potassium 3-Butenyltrifluoroborate
Product Information
Molecular Formula
C4H7F3BK
Molecular Weight
162.00
Description
Organotrifluoroborate involved in: Catalytic allylboration; Stereoselective nucleophilic addition; Pd-catalyzed heterocyclizations; Oxidation reactions and Oxidative Mannich reactions; Cross-coupling reactionsOrganotrifluoroborates as versatile and stable boronic acid surrogates.
Synonyms
potassium;but-3-enyl(trifluoro)boranuide; potassium;but-3-enyl(trifluoro)boranuide
IUPAC Name
potassium;but-3-enyl(trifluoro)boranuide
SMILES
[B-](CCC=C)(F)(F)F.[K+]
InChI
InChI=1S/C4H7BF3.K/c1-2-3-4-5(6,7)8;/h2H,1,3-4H2;/q-1;+1
InChI Key
UPXWGXKSNOQOKH-UHFFFAOYSA-N
Melting Point
>300 °C
Purity
90 %
LogP
2.40990
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
162.0229964 g/mol
Monoisotopic Mass
162.0229964 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
80.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
