ChemSpider 2D Image | (2R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)-2-propanol | C13H12F2N6O

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

  • Molecular FormulaC13H12F2N6O
  • Average mass306.271 Da
  • Monoisotopic mass306.104065 Da
  • ChemSpider ID32791602

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)-2-propanol [ACD/IUPAC Name]
(2R)-2-(2,4-Difluorophényl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)-2-propanol [French] [ACD/IUPAC Name]
(2R)-2-(2,4-Difluorphenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)-2-propanol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(4H-1,2,4-triazol-4-ylmethyl)-, (αR)- [ACD/Index Name]
89429-59-4 [RN]
Iso Fluconazole
UNII-9T59BRP61E

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 54.93
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 55.20
Polar Surface Area: 82 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

Click to predict properties on the Chemicalize site


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