ChemSpider 2D Image | N-{1-[4-Fluoro-2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}methanesulfonamide | C13H16F4N2O2S

N-{1-[4-Fluoro-2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}methanesulfonamide

  • Molecular FormulaC13H16F4N2O2S
  • Average mass340.337 Da
  • Monoisotopic mass340.086853 Da
  • ChemSpider ID30405954

More details:

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

Methanesulfonamide, N-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]- [ACD/Index Name]
N-{1-[4-Fluor-2-(trifluormethyl)benzyl]-3-pyrrolidinyl}methansulfonamid [German] [ACD/IUPAC Name]
N-{1-[4-Fluoro-2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}methanesulfonamide [ACD/IUPAC Name]
N-{1-[4-Fluoro-2-(trifluorométhyl)benzyl]-3-pyrrolidinyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-(1-{[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]METHYL}PYRROLIDIN-3-YL)METHANESULFONAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 372.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 179.2±30.7 °C
Index of Refraction: 1.527
Molar Refractivity: 73.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 59.67
Polar Surface Area: 58 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 240.5±5.0 cm3

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