ChemSpider 2D Image | N-[4-(1-Pyrrolidinyl)-2-butyn-1-yl]-3-(trifluoromethyl)benzamide | C16H17F3N2O

N-[4-(1-Pyrrolidinyl)-2-butyn-1-yl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC16H17F3N2O
  • Average mass310.314 Da
  • Monoisotopic mass310.129303 Da
  • ChemSpider ID30677804

More details:

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

Benzamide, N-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[4-(1-Pyrrolidinyl)-2-butin-1-yl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[4-(1-Pyrrolidinyl)-2-butyn-1-yl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[4-(1-Pyrrolidinyl)-2-butyn-1-yl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
1396856-18-0 [RN]
N-(4-(pyrrolidin-1-yl)but-2-yn-1-yl)-3-(trifluoromethyl)benzamide
N-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]-3-(trifluoromethyl)benzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 84.94
Polar Surface Area: 32 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 251.9±3.0 cm3

Click to predict properties on the Chemicalize site


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