ChemSpider 2D Image | (2E)-3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one | C8H6F3NOS

(2E)-3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one

  • Molecular FormulaC8H6F3NOS
  • Average mass221.199 Da
  • Monoisotopic mass221.012222 Da
  • ChemSpider ID35516426

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Amino-4,4,4-trifluor-1-(2-thienyl)-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one [ACD/IUPAC Name]
(2E)-3-Amino-4,4,4-trifluoro-1-(2-thiényl)-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-(2-thienyl)-, (2E)- [ACD/Index Name]
(2E)-3-amino-4,4,4-trifluoro-1-(thiophen-2-yl)but-2-en-1-one
(E)-3-amino-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one
3-Amino-4,4,4-trifluoro-1-thiophen-2-yl-but-2-en-1-one
70204-09-0 [RN]
MFCD00760692

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 285.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.4±3.0 kJ/mol
    Flash Point: 126.2±27.3 °C
    Index of Refraction: 1.521
    Molar Refractivity: 47.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.72
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 27.93
    ACD/KOC (pH 5.5): 377.33
    ACD/LogD (pH 7.4): 2.20
    ACD/BCF (pH 7.4): 27.93
    ACD/KOC (pH 7.4): 377.34
    Polar Surface Area: 71 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 38.6±3.0 dyne/cm
    Molar Volume: 156.9±3.0 cm3

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