ChemSpider 2D Image | {1-(3,4-Difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | C11H14F2NO5P

{1-(3,4-Difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid

  • Molecular FormulaC11H14F2NO5P
  • Average mass309.203 Da
  • Monoisotopic mass309.057770 Da
  • ChemSpider ID26611153

More details:

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

{1-(3,4-Difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid [ACD/IUPAC Name]
{1-(3,4-Difluorphenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {1-(3,4-difluorophényl)-4-[hydroxy(méthyl)amino]-4-oxobutyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-(3,4-difluorophenyl)-4-(hydroxymethylamino)-4-oxobutyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 528.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.3±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 202.0±3.0 cm3

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