ChemSpider 2D Image | [1-(6-{[3,5-Bis(trifluoromethyl)benzyl](methyl)amino}-4-pyrimidinyl)-2-pyrrolidinyl]methanol | C19H20F6N4O

[1-(6-{[3,5-Bis(trifluoromethyl)benzyl](methyl)amino}-4-pyrimidinyl)-2-pyrrolidinyl]methanol

  • Molecular FormulaC19H20F6N4O
  • Average mass434.379 Da
  • Monoisotopic mass434.154144 Da
  • ChemSpider ID114888458

More details:

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

[1-(6-{[3,5-Bis(trifluormethyl)benzyl](methyl)amino}-4-pyrimidinyl)-2-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
[1-(6-{[3,5-Bis(trifluoromethyl)benzyl](methyl)amino}-4-pyrimidinyl)-2-pyrrolidinyl]methanol [ACD/IUPAC Name]
[1-(6-{[3,5-Bis(trifluorométhyl)benzyl](méthyl)amino}-4-pyrimidinyl)-2-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 1-[6-[[[3,5-bis(trifluoromethyl)phenyl]methyl]methylamino]-4-pyrimidinyl]- [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: 494.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.8±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 79.28
ACD/KOC (pH 5.5): 346.10
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1202.07
ACD/KOC (pH 7.4): 5248.03
Polar Surface Area: 52 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

Click to predict properties on the Chemicalize site


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