ChemSpider 2D Image | 2-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]-1-[4-(trifluoromethyl)phenyl]ethanol | C21H21F3N2OS

2-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]-1-[4-(trifluoromethyl)phenyl]ethanol

  • Molecular FormulaC21H21F3N2OS
  • Average mass406.464 Da
  • Monoisotopic mass406.132660 Da
  • ChemSpider ID76943417

More details:

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

1-Piperidineethanol, 4-(2-benzothiazolyl)-α-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]-1-[4-(trifluormethyl)phenyl]ethanol [German] [ACD/IUPAC Name]
2-[4-(1,3-Benzothiazol-2-yl)-1-piperidinyl]-1-[4-(trifluoromethyl)phenyl]ethanol [ACD/IUPAC Name]
2-[4-(1,3-Benzothiazol-2-yl)-1-pipéridinyl]-1-[4-(trifluorométhyl)phényl]éthanol [French] [ACD/IUPAC 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: 521.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.3±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 18.35
ACD/KOC (pH 5.5): 88.85
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 598.10
ACD/KOC (pH 7.4): 2895.44
Polar Surface Area: 65 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 308.6±3.0 cm3

Click to predict properties on the Chemicalize site


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