ChemSpider 2D Image | (2S)-2-{[(2,2-Difluoroethyl)(methyl)carbamoyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name) | C9H14F2N2O5

(2S)-2-{[(2,2-Difluoroethyl)(methyl)carbamoyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name)

  • Molecular FormulaC9H14F2N2O5
  • Average mass268.215 Da
  • Monoisotopic mass268.087067 Da
  • ChemSpider ID72111823

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(2,2-Difluorethyl)(methyl)carbamoyl]amino}-4-methoxy-4-oxobutansäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-{[(2,2-Difluoroethyl)(methyl)carbamoyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S)-2-{[(2,2-difluoroéthyl)(méthyl)carbamoyl]amino}-4-méthoxy-4-oxobutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[[(2,2-difluoroethyl)methylamino]carbonyl]-, 4-methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 251.4±28.7 °C
Index of Refraction: 1.459
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 200.0±3.0 cm3

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