ChemSpider 2D Image | (1R,2R)-2-(Trifluoromethyl)cyclopropanecarboxylic acid | C5H5F3O2

(1R,2R)-2-(Trifluoromethyl)cyclopropanecarboxylic acid

  • Molecular FormulaC5H5F3O2
  • Average mass154.087 Da
  • Monoisotopic mass154.024170 Da
  • ChemSpider ID26233196

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(±)-trans-2-(trifluoromethyl)cyclopropanecarboxylic acid
(1R,2R)-2-(Trifluormethyl)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-(Trifluoromethyl)cyclopropanecarboxylic acid [ACD/IUPAC Name]
78376-99-5 [RN]
Acide (1R,2R)-2-(trifluorométhyl)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-(trifluoromethyl)-, (1R,2R)- [ACD/Index Name]
(±)-trans-2-(trifluoromethyl)cyclopropanecarboxylicacid
(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
1258652-18-4 [RN]
1932455-67-8 [RN]
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 168.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.8±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 44.6±6.0 kJ/mol
    Flash Point: 55.5±25.9 °C
    Index of Refraction: 1.416
    Molar Refractivity: 24.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.21
    ACD/LogD (pH 5.5): -0.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.57
    ACD/LogD (pH 7.4): -2.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 9.8±0.5 10-24cm3
    Surface Tension: 36.6±3.0 dyne/cm
    Molar Volume: 98.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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