ChemSpider 2D Image | (2S,3R)-1,1,1-Trifluoro-3-(2-pyridinyl)-2-butanol | C9H10F3NO

(2S,3R)-1,1,1-Trifluoro-3-(2-pyridinyl)-2-butanol

  • Molecular FormulaC9H10F3NO
  • Average mass205.177 Da
  • Monoisotopic mass205.071442 Da
  • ChemSpider ID30651707

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-1,1,1-Trifluor-3-(2-pyridinyl)-2-butanol [German] [ACD/IUPAC Name]
(2S,3R)-1,1,1-Trifluoro-3-(2-pyridinyl)-2-butanol [ACD/IUPAC Name]
(2S,3R)-1,1,1-Trifluoro-3-(2-pyridinyl)-2-butanol [French] [ACD/IUPAC Name]
2-Pyridineethanol, β-methyl-α-(trifluoromethyl)-, (αS,βR)- [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: 246.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 102.9±27.3 °C
Index of Refraction: 1.464
Molar Refractivity: 45.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.18
ACD/KOC (pH 5.5): 92.72
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 108.33
Polar Surface Area: 33 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 163.5±3.0 cm3

Click to predict properties on the Chemicalize site


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