ChemSpider 2D Image | 5-[3-Hydroxy-3-(trifluoromethyl)-1-pyrrolidinyl]-3-methyl-1,2-thiazole-4-carbonitrile | C10H10F3N3OS

5-[3-Hydroxy-3-(trifluoromethyl)-1-pyrrolidinyl]-3-methyl-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC10H10F3N3OS
  • Average mass277.266 Da
  • Monoisotopic mass277.049652 Da
  • ChemSpider ID67924246

More details:

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

4-Isothiazolecarbonitrile, 5-[3-hydroxy-3-(trifluoromethyl)-1-pyrrolidinyl]-3-methyl- [ACD/Index Name]
5-[3-Hydroxy-3-(trifluormethyl)-1-pyrrolidinyl]-3-methyl-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
5-[3-Hydroxy-3-(trifluoromethyl)-1-pyrrolidinyl]-3-methyl-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
5-[3-Hydroxy-3-(trifluorométhyl)-1-pyrrolidinyl]-3-méthyl-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 322.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 148.6±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 58.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 33.92
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 69.62
Polar Surface Area: 88 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 182.4±5.0 cm3

Click to predict properties on the Chemicalize site


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