ChemSpider 2D Image | (2R)-1-[(1,1,1,3,3,3-Hexafluoro-2-propanyl)oxy]-3-(2-nitro-1H-imidazol-1-yl)-2-propanol | C9H9F6N3O4

(2R)-1-[(1,1,1,3,3,3-Hexafluoro-2-propanyl)oxy]-3-(2-nitro-1H-imidazol-1-yl)-2-propanol

  • Molecular FormulaC9H9F6N3O4
  • Average mass337.176 Da
  • Monoisotopic mass337.049713 Da
  • ChemSpider ID34995982

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[(1,1,1,3,3,3-Hexafluor-2-propanyl)oxy]-3-(2-nitro-1H-imidazol-1-yl)-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-[(1,1,1,3,3,3-Hexafluoro-2-propanyl)oxy]-3-(2-nitro-1H-imidazol-1-yl)-2-propanol [ACD/IUPAC Name]
(2R)-1-[(1,1,1,3,3,3-Hexafluoro-2-propanyl)oxy]-3-(2-nitro-1H-imidazol-1-yl)-2-propanol [French] [ACD/IUPAC Name]
1H-Imidazole-1-ethanol, 2-nitro-α-[[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]methyl]-, (αR)- [ACD/Index Name]
104290-39-3 [RN]
Cci-103F
UNII-2IW6LAX4HZ

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

Density: 1.7±0.1 g/cm3
Boiling Point: 433.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 216.1±31.5 °C
Index of Refraction: 1.473
Molar Refractivity: 56.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.35
ACD/KOC (pH 5.5): 158.92
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.35
ACD/KOC (pH 7.4): 158.93
Polar Surface Area: 93 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 38.3±7.0 dyne/cm
Molar Volume: 201.9±7.0 cm3

Click to predict properties on the Chemicalize site


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