ChemSpider 2D Image | 2-[(2,2-Difluoroethyl)sulfanyl]-3-isopropyl-4(3H)-quinazolinone | C13H14F2N2OS

2-[(2,2-Difluoroethyl)sulfanyl]-3-isopropyl-4(3H)-quinazolinone

  • Molecular FormulaC13H14F2N2OS
  • Average mass284.325 Da
  • Monoisotopic mass284.079498 Da
  • ChemSpider ID35276426

More details:

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

2-[(2,2-Difluorethyl)sulfanyl]-3-isopropyl-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-[(2,2-Difluoroethyl)sulfanyl]-3-isopropyl-4(3H)-quinazolinone [ACD/IUPAC Name]
2-[(2,2-Difluoroéthyl)sulfanyl]-3-isopropyl-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[(2,2-difluoroethyl)thio]-3-(1-methylethyl)- [ACD/Index 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: 391.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.7±30.7 °C
Index of Refraction: 1.584
Molar Refractivity: 72.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.48
ACD/KOC (pH 5.5): 804.83
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.48
ACD/KOC (pH 7.4): 804.83
Polar Surface Area: 58 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 216.3±7.0 cm3

Click to predict properties on the Chemicalize site


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