ChemSpider 2D Image | 1-Benzyl-3-(trifluoromethyl)-3-pyrrolidinol | C12H14F3NO

1-Benzyl-3-(trifluoromethyl)-3-pyrrolidinol

  • Molecular FormulaC12H14F3NO
  • Average mass245.241 Da
  • Monoisotopic mass245.102753 Da
  • ChemSpider ID21521508

More details:






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

1211580-89-0 [RN]
1-Benzyl-3-(trifluormethyl)-3-pyrrolidinol [German] [ACD/IUPAC Name]
1-Benzyl-3-(trifluoromethyl)-3-pyrrolidinol [ACD/IUPAC Name]
1-Benzyl-3-(trifluorométhyl)-3-pyrrolidinol [French] [ACD/IUPAC Name]
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-ol
3-Pyrrolidinol, 1-(phenylmethyl)-3-(trifluoromethyl)- [ACD/Index Name]
1-Benzyl-3-trifluoromethyl-pyrrolidin-3-ol
AC1Q77YU
AG-A-18713
AGN-PC-080FQM
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 284.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±3.0 kJ/mol
    Flash Point: 126.0±27.3 °C
    Index of Refraction: 1.528
    Molar Refractivity: 57.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.55
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 22.42
    ACD/KOC (pH 7.4): 289.43
    Polar Surface Area: 23 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 186.6±3.0 cm3

    Click to predict properties on the Chemicalize site






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