ChemSpider 2D Image | 2-Methyl-2-propanyl N-[2-(2-fluorophenoxy)ethyl]-L-valinate | C17H26FNO3

2-Methyl-2-propanyl N-[2-(2-fluorophenoxy)ethyl]-L-valinate

  • Molecular FormulaC17H26FNO3
  • Average mass311.392 Da
  • Monoisotopic mass311.189667 Da
  • ChemSpider ID32045350
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Methyl-2-propanyl N-[2-(2-fluorophenoxy)ethyl]-L-valinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[2-(2-fluorphenoxy)ethyl]-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[2-(2-fluorophenoxy)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[2-(2-Fluorophénoxy)éthyl]-L-valinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
https://mcule.com/MCULE-2256298198
TERT-BUTYL (2S)-2-{[2-(2-FLUOROPHENOXY)ETHYL]AMINO}-3-METHYLBUTANOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 387.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 188.1±25.1 °C
Index of Refraction: 1.483
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 85.68
ACD/KOC (pH 5.5): 453.48
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 687.04
ACD/KOC (pH 7.4): 3636.36
Polar Surface Area: 48 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 295.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement