ChemSpider 2D Image | (2Z)-4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-2-buten-1-one | C8H5F3O2S

(2Z)-4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-2-buten-1-one

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID24534622

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4,4,4-Trifluor-3-hydroxy-1-(2-thienyl)-2-buten-1-on [German] [ACD/IUPAC Name]
(2Z)-4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-2-buten-1-one [ACD/IUPAC Name]
(2Z)-4,4,4-Trifluoro-3-hydroxy-1-(2-thiényl)-2-butén-1-one [French] [ACD/IUPAC Name]
(2Z)-4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)but-2-en-1-one
2-Buten-1-one, 4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-, (2Z)- [ACD/Index Name]
2-BUTEN-1-ONE, 4,4,4-TRIFLUORO-3-HYDROXY-1-(2-THIENYL)-
59354-21-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 292.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 130.5±27.3 °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: 4.15
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.08
ACD/KOC (pH 5.5): 597.05
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 44.41
ACD/KOC (pH 7.4): 499.51
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

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