ChemSpider 2D Image | (2E)-4-(3-Fluoro-1-pyrrolidinyl)-4-oxo-2-butenoic acid | C8H10FNO3

(2E)-4-(3-Fluoro-1-pyrrolidinyl)-4-oxo-2-butenoic acid

  • Molecular FormulaC8H10FNO3
  • Average mass187.168 Da
  • Monoisotopic mass187.064468 Da
  • ChemSpider ID53613590

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(3-Fluor-1-pyrrolidinyl)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4-(3-Fluoro-1-pyrrolidinyl)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 4-(3-fluoro-1-pyrrolidinyl)-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-(3-fluoro-1-pyrrolidinyl)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
(E)-4-(3-fluoropyrrolidin-1-yl)-4-oxobut-2-enoic acid
2023130-10-9 [RN]
MFCD29995004

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 404.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±6.0 kJ/mol
    Flash Point: 198.6±28.7 °C
    Index of Refraction: 1.522
    Molar Refractivity: 42.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.53
    ACD/LogD (pH 5.5): -1.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 48.4±5.0 dyne/cm
    Molar Volume: 140.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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