ChemSpider 2D Image | 1-{4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl}-3-sulfanyl-1-propanone | C15H17ClF3NO2S

1-{4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl}-3-sulfanyl-1-propanone

  • Molecular FormulaC15H17ClF3NO2S
  • Average mass367.814 Da
  • Monoisotopic mass367.062073 Da
  • ChemSpider ID35033964

More details:






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

1-{4-[4-Chlor-3-(trifluormethyl)phenyl]-4-hydroxy-1-piperidinyl}-3-sulfanyl-1-propanon [German] [ACD/IUPAC Name]
1-{4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl}-3-sulfanyl-1-propanone [ACD/IUPAC Name]
1-{4-[4-Chloro-3-(trifluorométhyl)phényl]-4-hydroxy-1-pipéridinyl}-3-sulfanyl-1-propanone [French] [ACD/IUPAC Name]
1-{4-[4-Chloro-3-(Trifluoromethyl)phenyl]-4-Hydroxypiperidin-1-Yl}-3-Sulfanylpropan-1-One
1-Propanone, 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl]-3-mercapto- [ACD/Index Name]
KI1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 241.3±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 152.96
ACD/KOC (pH 5.5): 1274.46
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 152.40
ACD/KOC (pH 7.4): 1269.78
Polar Surface Area: 79 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 264.4±3.0 cm3

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