ChemSpider 2D Image | (S)-2-amino-4,4-difluorobutanoic acid | C4H7F2NO2

(S)-2-amino-4,4-difluorobutanoic acid

  • Molecular FormulaC4H7F2NO2
  • Average mass139.101 Da
  • Monoisotopic mass139.044479 Da
  • ChemSpider ID24776114

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4,4-difluorbutansäure [German] [ACD/IUPAC Name]
(2S)-2-Amino-4,4-difluorobutanoic acid [ACD/IUPAC Name]
(S)-2-amino-4,4-difluorobutanoic acid
Acide (2S)-2-amino-4,4-difluorobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4,4-difluoro-, (2S)- [ACD/Index Name]
121960-22-3 [RN]
MFCD19204799

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

Density: 1.3±0.1 g/cm3
Boiling Point: 227.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.1±6.0 kJ/mol
Flash Point: 91.2±27.3 °C
Index of Refraction: 1.411
Molar Refractivity: 25.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 104.5±3.0 cm3

Click to predict properties on the Chemicalize site


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