Found 30 results

Search term: MF = 'C_{4}H_{5}F_{3}O_{3}'
ChemSpider 2D Image | (2S)-2-(Trifluoromethoxy)propanoic acid | C4H5F3O3

(2S)-2-(Trifluoromethoxy)propanoic acid

  • Molecular FormulaC4H5F3O3
  • Average mass158.076 Da
  • Monoisotopic mass158.019073 Da
  • ChemSpider ID28421612

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Trifluormethoxy)propansäure [German] [ACD/IUPAC Name]
(2S)-2-(Trifluoromethoxy)propanoic acid [ACD/IUPAC Name]
Acide (2S)-2-(trifluorométhoxy)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-(trifluoromethoxy)-, (2S)- [ACD/Index Name]
(2S)-2-(trifluoromethoxy) propanoic acid
1286762-00-2 [RN]
MFCD23382490
MS-20648

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 152.3±35.0 °C at 760 mmHg
    Vapour Pressure: 1.9±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 42.9±6.0 kJ/mol
    Flash Point: 45.9±25.9 °C
    Index of Refraction: 1.352
    Molar Refractivity: 24.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): -2.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 47 Å2
    Polarizability: 9.6±0.5 10-24cm3
    Surface Tension: 26.1±3.0 dyne/cm
    Molar Volume: 112.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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