ChemSpider 2D Image | (2R,3R)-2-(2,4-Difluorophenyl)-3-[4-methylene(2,2,6,6-~2~H_4_)-1-piperidinyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol | C18H18D4F2N4O

(2R,3R)-2-(2,4-Difluorophenyl)-3-[4-methylene(2,2,6,6-2H4)-1-piperidinyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

  • Molecular FormulaC18H18D4F2N4O
  • Average mass352.415 Da
  • Monoisotopic mass352.201263 Da
  • ChemSpider ID109107948

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R)-2-(2,4-Difluorophenyl)-3-[4-methylene(2,2,6,6-2H4)-1-piperidinyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol [ACD/IUPAC Name]
(2R,3R)-2-(2,4-Difluorophényl)-3-[4-méthylène(2,2,6,6-2H4)-1-pipéridinyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol [French] [ACD/IUPAC Name]
(2R,3R)-2-(2,4-Difluorphenyl)-3-[4-methylen(2,2,6,6-2H4)-1-piperidinyl]-1-(1H-1,2,4-triazol-1-yl)-2-butanol [German] [ACD/IUPAC Name]
Piperidine-2,2,6,6-d4-1-ethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,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: 512.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.6±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.57
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 12.89
ACD/KOC (pH 7.4): 130.53
Polar Surface Area: 54 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 274.5±7.0 cm3

Click to predict properties on the Chemicalize site


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