ChemSpider 2D Image | (3R)-2-(2,4-Difluorophenyl)-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol | C13H15F2N3O3S

(3R)-2-(2,4-Difluorophenyl)-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

  • Molecular FormulaC13H15F2N3O3S
  • Average mass331.338 Da
  • Monoisotopic mass331.080231 Da
  • ChemSpider ID114964185

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-2-(2,4-Difluorophenyl)-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol [ACD/IUPAC Name]
(3R)-2-(2,4-Difluorophényl)-3-(méthylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol [French] [ACD/IUPAC Name]
(3R)-2-(2,4-Difluorphenyl)-3-(methylsulfonyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-[(1R)-1-(methylsulfonyl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.2±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.61
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 46.73
Polar Surface Area: 93 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 232.1±7.0 cm3

Click to predict properties on the Chemicalize site


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