ChemSpider 2D Image | 1-{(2R)-2-Methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propyl}pyrrolidinium | C15H19F3NO

1-{(2R)-2-Methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propyl}pyrrolidinium

  • Molecular FormulaC15H19F3NO
  • Average mass286.312 Da
  • Monoisotopic mass286.141327 Da
  • ChemSpider ID128920102

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{(2R)-2-Methyl-3-oxo-3-[4-(trifluormethyl)phenyl]propyl}pyrrolidinium [German] [ACD/IUPAC Name]
1-{(2R)-2-Methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propyl}pyrrolidinium [ACD/IUPAC Name]
1-{(2R)-2-Méthyl-3-oxo-3-[4-(trifluorométhyl)phényl]propyl}pyrrolidinium [French] [ACD/IUPAC Name]
1-Propanone, 2-methyl-3-(1-pyrrolidinyl)-1-[4-(trifluoromethyl)phenyl]-, conjugate acid, (2R)- [ACD/Index Name]
lanperisone cation
lanperisone(1+)
  • Miscellaneous

    • Chemical Class:

      A tertiary ammonium ion that is the conjugate acid of lanperisone resulting from the protonation of the pyrrolidine nitrogen. Major microspecies at pH 7.3. ChEBI CHEBI:176341

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 360.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 171.5±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 14.84
Polar Surface Area: 22 Å2
Polarizability:
Surface Tension:
Molar Volume:

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