Found 13 results

Search term: MF = 'C_{16}H_{28}F_{3}N_{3}O_{4}'
ChemSpider 2D Image | Isopropyl N-({4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl}carbonyl)-beta-alaninate | C16H28F3N3O4

Isopropyl N-({4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl}carbonyl)-β-alaninate

  • Molecular FormulaC16H28F3N3O4
  • Average mass383.406 Da
  • Monoisotopic mass383.203186 Da
  • ChemSpider ID69786950

More details:

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

Isopropyl N-({4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl}carbonyl)-β-alaninate [ACD/IUPAC Name]
Isopropyl-N-({4-[3-(2,2,2-trifluorethoxy)propyl]-1-piperazinyl}carbonyl)-β-alaninat [German] [ACD/IUPAC Name]
N-({4-[3-(2,2,2-Trifluoroéthoxy)propyl]-1-pipérazinyl}carbonyl)-β-alaninate d'isopropyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl]carbonyl]-, 1-methylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.3±30.1 °C
Index of Refraction: 1.458
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.62
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 12.60
ACD/KOC (pH 7.4): 199.65
Polar Surface Area: 71 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 324.9±3.0 cm3

Click to predict properties on the Chemicalize site


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