ChemSpider 2D Image | (2S)-3-[(Difluoroacetyl)amino]-2-hydroxypropanoic acid | C5H7F2NO4

(2S)-3-[(Difluoroacetyl)amino]-2-hydroxypropanoic acid

  • Molecular FormulaC5H7F2NO4
  • Average mass183.110 Da
  • Monoisotopic mass183.034317 Da
  • ChemSpider ID55883867

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-[(Difluoracetyl)amino]-2-hydroxypropansäure [German] [ACD/IUPAC Name]
(2S)-3-[(Difluoroacetyl)amino]-2-hydroxypropanoic acid [ACD/IUPAC Name]
Acide (2S)-3-[(2,2-difluoroacétyl)amino]-2-hydroxypropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(2,2-difluoroacetyl)amino]-2-hydroxy-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 451.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 227.1±28.7 °C
Index of Refraction: 1.446
Molar Refractivity: 32.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 120.8±3.0 cm3

Click to predict properties on the Chemicalize site


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