ChemSpider 2D Image | 3-(2-Fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}sulfonyl)benzonitrile | C18H15F4NO3S

3-(2-Fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}sulfonyl)benzonitrile

  • Molecular FormulaC18H15F4NO3S
  • Average mass401.375 Da
  • Monoisotopic mass401.070862 Da
  • ChemSpider ID26325514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(2-Fluorethyl)-4-({4-[(2S)-1,1,1-trifluor-2-hydroxy-2-propanyl]phenyl}sulfonyl)benzonitril [German] [ACD/IUPAC Name]
3-(2-Fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phenyl}sulfonyl)benzonitrile [ACD/IUPAC Name]
3-(2-Fluoroéthyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]phényl}sulfonyl)benzonitrile [French] [ACD/IUPAC Name]
3-(2-Fluoroethyl)-4-({4-[(2s)-1,1,1-Trifluoro-2-Hydroxypropan-2-Yl]phenyl}sulfonyl)benzonitrile
Benzonitrile, 3-(2-fluoroethyl)-4-[[4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl]sulfonyl]- [ACD/Index Name]
3OQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 552.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.8±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 90.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.96
ACD/KOC (pH 5.5): 1019.35
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.94
ACD/KOC (pH 7.4): 1019.16
Polar Surface Area: 87 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 278.4±5.0 cm3

Click to predict properties on the Chemicalize site


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