N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium | SBID = 2463 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 5.04
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H18F6N+
M / g/mol: 362.3326392
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium
  • Preferred Abbreviation: N,N-dimethyl-N-(4-(trifluoromethyl)benzyl)-1-(4-(trifluoromethyl)phenyl)methanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1059
  • InChiKey: WCQSELKKYKHZCZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H18F6N/c1-25(2,11-13-3-7-15(8-4-13)17(19,20)21)12-14-5-9-16(10-6-14)18(22,23)24/h3-10H,11-12H2,1-2H3/q+1
  • CanoSmiles: FC(c1ccc(cc1)C[N+](Cc1ccc(cc1)C(F)(F)F)(C)C)(F)F
  • IsoSmiles: C[N+](CC1=CC=C(C(F)(F)F)C=C1)(C)CC2=CC=C(C(F)(F)F)C=C2