ChemSpider 2D Image | (3R,4R)-4-Fluoro-1-[3-fluoro-5-(trifluoromethyl)benzyl]-3-pyrrolidinol | C12H12F5NO

(3R,4R)-4-Fluoro-1-[3-fluoro-5-(trifluoromethyl)benzyl]-3-pyrrolidinol

  • Molecular FormulaC12H12F5NO
  • Average mass281.222 Da
  • Monoisotopic mass281.083893 Da
  • ChemSpider ID67899833

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-Fluor-1-[3-fluor-5-(trifluormethyl)benzyl]-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-Fluoro-1-[3-fluoro-5-(trifluoromethyl)benzyl]-3-pyrrolidinol [ACD/IUPAC Name]
(3R,4R)-4-Fluoro-1-[3-fluoro-5-(trifluorométhyl)benzyl]-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 4-fluoro-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-, (3R,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 291.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 129.9±27.3 °C
Index of Refraction: 1.495
Molar Refractivity: 58.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 35.55
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.05
ACD/KOC (pH 7.4): 125.08
Polar Surface Area: 23 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 200.3±5.0 cm3

Click to predict properties on the Chemicalize site


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