ChemSpider 2D Image | (4aR,8aS)-8a-(2,4-Difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine | C13H14F2N2OS

(4aR,8aS)-8a-(2,4-Difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

  • Molecular FormulaC13H14F2N2OS
  • Average mass284.325 Da
  • Monoisotopic mass284.079498 Da
  • ChemSpider ID35035313

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aS)-8a-(2,4-Difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine [ACD/IUPAC Name]
(4aR,8aS)-8a-(2,4-Difluorophényl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine [French] [ACD/IUPAC Name]
(4aR,8aS)-8a-(2,4-Difluorphenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amin [German] [ACD/IUPAC Name]
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydro-, (4aR,8aS)- [ACD/Index Name]
3VO

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

Density: 1.5±0.1 g/cm3
Boiling Point: 416.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.8±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 69.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 18.97
ACD/KOC (pH 5.5): 275.85
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.52
ACD/KOC (pH 7.4): 312.99
Polar Surface Area: 73 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 190.0±7.0 cm3

Click to predict properties on the Chemicalize site


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