N-(2,6-difluorobenzyl)-1-(2,6-difluorophenyl)-N,N-dimethylmethanaminium | SBID = 2483 | 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): 3.67
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: C16H16F4N+
M / g/mol: 298.2985528
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-(2,6-difluorobenzyl)-1-(2,6-difluorophenyl)-N,N-dimethylmethanaminium
  • Preferred Abbreviation: N-(2,6-difluorobenzyl)-1-(2,6-difluorophenyl)-N,N-dimethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1075
  • InChiKey: YMZHONWZHIDKRB-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H16F4N/c1-21(2,9-11-13(17)5-3-6-14(11)18)10-12-15(19)7-4-8-16(12)20/h3-8H,9-10H2,1-2H3/q+1
  • CanoSmiles: Fc1cccc(c1C[N+](Cc1c(F)cccc1F)(C)C)F
  • IsoSmiles: FC1=C(C[N+](C)(C)CC2=C(F)C=CC=C2F)C(F)=CC=C1