ChemSpider 2D Image | (2R)-2-{[(2,2-Difluoroethyl)carbamoyl]amino}hexanedioic acid | C9H14F2N2O5

(2R)-2-{[(2,2-Difluoroethyl)carbamoyl]amino}hexanedioic acid

  • Molecular FormulaC9H14F2N2O5
  • Average mass268.215 Da
  • Monoisotopic mass268.087067 Da
  • ChemSpider ID55890811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{[(2,2-Difluorethyl)carbamoyl]amino}hexandisäure [German] [ACD/IUPAC Name]
(2R)-2-{[(2,2-Difluoroethyl)carbamoyl]amino}hexanedioic acid [ACD/IUPAC Name]
Acide (2R)-2-{[(2,2-difluoroéthyl)carbamoyl]amino}hexanedioïque [French] [ACD/IUPAC Name]
Hexanedioic acid, 2-[[[(2,2-difluoroethyl)amino]carbonyl]amino]-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 286.5±30.1 °C
Index of Refraction: 1.476
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 192.7±3.0 cm3

Click to predict properties on the Chemicalize site


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