ChemSpider 2D Image | (S)-trifluoroalaninol | C3H6F3NO

(S)-trifluoroalaninol

  • Molecular FormulaC3H6F3NO
  • Average mass129.081 Da
  • Monoisotopic mass129.040146 Da
  • ChemSpider ID24609494

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3,3,3-trifluor-1-propanol [German] [ACD/IUPAC Name]
(2S)-2-Amino-3,3,3-trifluoro-1-propanol [ACD/IUPAC Name]
(2S)-2-Amino-3,3,3-trifluoro-1-propanol [French] [ACD/IUPAC Name]
(S)-trifluoroalaninol
1-Propanol, 2-amino-3,3,3-trifluoro-, (2S)- [ACD/Index Name]
(2S)-2-Amino-3,3,3-trifluoropropan-1-ol
(S)-2-amino-3,3,3-trifluoropropan-1-ol
561323-79-3 [RN]
MFCD19213099 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 244.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±6.0 kJ/mol
    Flash Point: 101.9±25.9 °C
    Index of Refraction: 1.365
    Molar Refractivity: 21.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.21
    ACD/LogD (pH 5.5): -0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.18
    ACD/LogD (pH 7.4): -0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.91
    Polar Surface Area: 46 Å2
    Polarizability: 8.5±0.5 10-24cm3
    Surface Tension: 26.7±3.0 dyne/cm
    Molar Volume: 96.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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