Found 4 results

Search term: MF = 'C_{24}H_{36}F_{3}NO_{2}'

ChemSpider 2D Image | (2S)-2-[(7R)-3-Benzyl-4,4,7-trimethyloctahydro-2H-1,3-benzoxazin-2-yl]-1,1,1-trifluoro-2-hexanol | C24H36F3NO2

(2S)-2-[(7R)-3-Benzyl-4,4,7-trimethyloctahydro-2H-1,3-benzoxazin-2-yl]-1,1,1-trifluoro-2-hexanol

  • Molecular FormulaC24H36F3NO2
  • Average mass427.543 Da
  • Monoisotopic mass427.269806 Da
  • ChemSpider ID30651004
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

(2S)-2-[(7R)-3-Benzyl-4,4,7-trimethyloctahydro-2H-1,3-benzoxazin-2-yl]-1,1,1-trifluor-2-hexanol [German] [ACD/IUPAC Name]
(2S)-2-[(7R)-3-Benzyl-4,4,7-trimethyloctahydro-2H-1,3-benzoxazin-2-yl]-1,1,1-trifluoro-2-hexanol [ACD/IUPAC Name]
(2S)-2-[(7R)-3-Benzyl-4,4,7-triméthyloctahydro-2H-1,3-benzoxazin-2-yl]-1,1,1-trifluoro-2-hexanol [French] [ACD/IUPAC Name]
2H-1,3-Benzoxazine-2-methanol, α-butyloctahydro-4,4,7-trimethyl-3-(phenylmethyl)-α-(trifluoromethyl)-, (αS,7R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 475.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.5±28.7 °C
Index of Refraction: 1.489
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.88
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 167923.69
ACD/KOC (pH 5.5): 153098.14
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 362240.22
ACD/KOC (pH 7.4): 330258.97
Polar Surface Area: 33 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 390.4±3.0 cm3

Click to predict properties on the Chemicalize site






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