ChemSpider 2D Image | N-Acetyl-N-[3-(trifluoromethyl)phenyl]-D-valylglycine | C16H19F3N2O4

N-Acetyl-N-[3-(trifluoromethyl)phenyl]-D-valylglycine

  • Molecular FormulaC16H19F3N2O4
  • Average mass360.328 Da
  • Monoisotopic mass360.129700 Da
  • ChemSpider ID34988353

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, N-acetyl-N-[3-(trifluoromethyl)phenyl]-D-valyl- [ACD/Index Name]
N-Acetyl-N-[3-(trifluormethyl)phenyl]-D-valylglycin [German] [ACD/IUPAC Name]
N-Acetyl-N-[3-(trifluoromethyl)phenyl]-D-valylglycine [ACD/IUPAC Name]
N-Acétyl-N-[3-(trifluorométhyl)phényl]-D-valylglycine [French] [ACD/IUPAC Name]
2-[[(2S)-2-[acetyl-[3-(trifluoromethyl)phenyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid
2-[[(2S)-2-[acetyl-[3-(trifluoromethyl)phenyl]amino]-3-methylbutanoyl]amino]acetic acid
2-[[(2S)-2-[acetyl-[3-(trifluoromethyl)phenyl]amino]-3-methyl-butanoyl]amino]acetic acid
2-[[(2S)-2-[ethanoyl-[3-(trifluoromethyl)phenyl]amino]-3-methyl-butanoyl]amino]ethanoic acid
379685-96-8 [RN]
ACETYL TRIFLUOROMETHYLPHENYL VALYLGLYCINE, DL-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 274.9±3.0 cm3

Click to predict properties on the Chemicalize site


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