ChemSpider 2D Image | [3-(3,4-Difluorophenyl)bicyclo[1.1.1]pent-1-yl]{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid | C28H23F2NO4

[3-(3,4-Difluorophenyl)bicyclo[1.1.1]pent-1-yl]{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid

  • Molecular FormulaC28H23F2NO4
  • Average mass475.483 Da
  • Monoisotopic mass475.159515 Da
  • ChemSpider ID74785480

More details:

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

[3-(3,4-Difluorophenyl)bicyclo[1.1.1]pent-1-yl]{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid [ACD/IUPAC Name]
[3-(3,4-Difluorphenyl)bicyclo[1.1.1]pent-1-yl]{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}essigsäure [German] [ACD/IUPAC Name]
Acide [3-(3,4-difluorophényl)bicyclo[1.1.1]pent-1-yl]{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}acétique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-acetic acid, 3-(3,4-difluorophenyl)-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- [ACD/Index Name]
2-[3-(3,4-difluorophenyl)bicyclo[1.1.1]pentan-1-yl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid
2287267-45-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 103.01
ACD/KOC (pH 5.5): 259.05
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 7.86
Polar Surface Area: 76 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

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