ChemSpider 2D Image | (2E)-4,4,4-Trifluoro-3-(2-thienyl)-2-butenoic acid | C8H5F3O2S

(2E)-4,4,4-Trifluoro-3-(2-thienyl)-2-butenoic acid

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID26949974

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4,4,4-Trifluor-3-(2-thienyl)-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4,4,4-Trifluoro-3-(2-thienyl)-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 4,4,4-trifluoro-3-(2-thienyl)-, (2E)- [ACD/Index Name]
Acide (2E)-4,4,4-trifluoro-3-(2-thiényl)-2-buténoïque [French] [ACD/IUPAC Name]
(e)-4,4,4-trifluoro-3-(thiophen-2-yl)but-2-enoic acid
1369472-90-1 [RN]
4,4,4-Trifluoro-3-(2-thienyl)-(E)-crotonic acid
4,4,4-TRIFLUORO-3-(E)-(2-THIENYL)CROTONIC ACID
MFCD07368472

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 304.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.6±3.0 kJ/mol
    Flash Point: 138.2±27.9 °C
    Index of Refraction: 1.520
    Molar Refractivity: 45.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 39.9±3.0 dyne/cm
    Molar Volume: 150.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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