ChemSpider 2D Image | Methyl N-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-alaninate | C15H16F3NO3

Methyl N-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-alaninate

  • Molecular FormulaC15H16F3NO3
  • Average mass315.288 Da
  • Monoisotopic mass315.108215 Da
  • ChemSpider ID30305452

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-({1-[3-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)-L-alaninate [ACD/IUPAC Name]
Methyl-N-({1-[3-(trifluormethyl)phenyl]cyclopropyl}carbonyl)-L-alaninat [German] [ACD/IUPAC Name]
N-({1-[3-(Trifluorométhyl)phényl]cyclopropyl}carbonyl)-L-alaninate de méthyle [French] [ACD/IUPAC Name]
METHYL (2S)-2-({1-[3-(TRIFLUOROMETHYL)PHENYL]CYCLOPROPYL}FORMAMIDO)PROPANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 390.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.0±27.9 °C
Index of Refraction: 1.502
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.07
ACD/KOC (pH 5.5): 564.80
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.07
ACD/KOC (pH 7.4): 564.80
Polar Surface Area: 55 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 242.8±3.0 cm3

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