ChemSpider 2D Image | (2R,3R)-3-(2,4-Difluorophenyl)-2-(5-fluoro-4-pyrimidinyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-butanediol | C16H14F3N5O2

(2R,3R)-3-(2,4-Difluorophenyl)-2-(5-fluoro-4-pyrimidinyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-butanediol

  • Molecular FormulaC16H14F3N5O2
  • Average mass365.310 Da
  • Monoisotopic mass365.109955 Da
  • ChemSpider ID48060780

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-3-(2,4-Difluorophenyl)-2-(5-fluoro-4-pyrimidinyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-butanediol [ACD/IUPAC Name]
(2R,3R)-3-(2,4-Difluorophényl)-2-(5-fluoro-4-pyrimidinyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-butanediol [French] [ACD/IUPAC Name]
(2R,3R)-3-(2,4-Difluorphenyl)-2-(5-fluor-4-pyrimidinyl)-4-(1H-1,2,4-triazol-1-yl)-1,3-butandiol [German] [ACD/IUPAC Name]
1,3-Butanediol, 3-(2,4-difluorophenyl)-2-(5-fluoro-4-pyrimidinyl)-4-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- [ACD/Index Name]
4-Hydroxyvoriconazole
943331-64-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.7±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 86.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.56
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.70
Polar Surface Area: 97 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 242.8±7.0 cm3

Click to predict properties on the Chemicalize site


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