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

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

  • Molecular FormulaC8H10FNO3
  • Average mass187.168 Da
  • Monoisotopic mass187.064468 Da
  • ChemSpider ID72767101

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-(3-Fluor-1-pyrrolidinyl)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2Z)-4-(3-Fluoro-1-pyrrolidinyl)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 4-(3-fluoro-1-pyrrolidinyl)-4-oxo-, (2Z)- [ACD/Index Name]
Acide (2Z)-4-(3-fluoro-1-pyrrolidinyl)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

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): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
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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