ChemSpider 2D Image | 1,1,1,3,3,3-Hexafluoro-2-{4-[4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol | C17H16F6N2O3S2

1,1,1,3,3,3-Hexafluoro-2-{4-[4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol

  • Molecular FormulaC17H16F6N2O3S2
  • Average mass474.441 Da
  • Monoisotopic mass474.050659 Da
  • ChemSpider ID31138031

More details:

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

1,1,1,3,3,3-Hexafluor-2-{4-[4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol [German] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-{4-[4-(2-thienylsulfonyl)-1-piperazinyl]phenyl}-2-propanol [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-{4-[4-(2-thiénylsulfonyl)-1-pipérazinyl]phényl}-2-propanol [French] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-{4-[4-(Thiophen-2-Ylsulfonyl)piperazin-1-Yl]phenyl}propan-2-Ol
Benzenemethanol, 4-[4-(2-thienylsulfonyl)-1-piperazinyl]-α,α-bis(trifluoromethyl)- [ACD/Index Name]
2EU

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 561.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.6±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.24
ACD/KOC (pH 5.5): 1695.80
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.14
ACD/KOC (pH 7.4): 1695.06
Polar Surface Area: 97 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 310.0±3.0 cm3

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