Lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate | SBID = 1173 | Compound | Custom Molecule

Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 25.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C32H12BF24Li
M / g/mol: 870.1513568
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: Lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
  • Preferred Abbreviation: LiBArF
  • IUPAC Name:
  • CAS: 153347-65-0
  • CID: -371
  • InChiKey: LPBWLNOAQINJIV-UHFFFAOYSA-N
  • InChi: InChI=1S/C32H12BF24.Li/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
  • CanoSmiles: FC(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F.[Li+]
  • IsoSmiles: FC(C1=CC([B-](C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1)(F)F.[Li+]