ChemSpider 2D Image | [(3S,4S)-1-[2-(3,4-Difluorophenyl)ethyl]-4-(trifluoromethyl)-3-pyrrolidinyl]methanol | C14H16F5NO

[(3S,4S)-1-[2-(3,4-Difluorophenyl)ethyl]-4-(trifluoromethyl)-3-pyrrolidinyl]methanol

  • Molecular FormulaC14H16F5NO
  • Average mass309.275 Da
  • Monoisotopic mass309.115204 Da
  • ChemSpider ID67931660

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3S,4S)-1-[2-(3,4-Difluorophenyl)ethyl]-4-(trifluoromethyl)-3-pyrrolidinyl]methanol [ACD/IUPAC Name]
[(3S,4S)-1-[2-(3,4-Difluorophényl)éthyl]-4-(trifluorométhyl)-3-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
[(3S,4S)-1-[2-(3,4-Difluorphenyl)ethyl]-4-(trifluormethyl)-3-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
3-Pyrrolidinemethanol, 1-[2-(3,4-difluorophenyl)ethyl]-4-(trifluoromethyl)-, (3S,4S)- [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: 308.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 140.6±26.5 °C
Index of Refraction: 1.473
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 11.43
ACD/KOC (pH 7.4): 136.76
Polar Surface Area: 23 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

Click to predict properties on the Chemicalize site


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