N,N-dimethyl-N-(3-(trifluoromethyl)benzyl)-1-(3-(trifluoromethyl)phenyl)methanaminium | SBID = 2474 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.06
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-(3-(trifluoromethyl)benzyl)-1-(3-(trifluoromethyl)phenyl)methanaminium
  • Preferred Abbreviation: N,N-dimethyl-N-(3-(trifluoromethyl)benzyl)-1-(3-(trifluoromethyl)phenyl)methanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1067
  • InChiKey: DDIRDDMQKVEDHO-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H18F6N/c1-25(2,11-13-5-3-7-15(9-13)17(19,20)21)12-14-6-4-8-16(10-14)18(22,23)24/h3-10H,11-12H2,1-2H3/q+1
  • CanoSmiles: C[N+](Cc1cccc(c1)C(F)(F)F)(Cc1cccc(c1)C(F)(F)F)C
  • IsoSmiles: C[N+](CC1=CC=CC(C(F)(F)F)=C1)(C)CC2=CC(C(F)(F)F)=CC=C2