ChemSpider 2D Image | Cr-6086 | C26H27F3N2O3

Cr-6086

  • Molecular FormulaC26H27F3N2O3
  • Average mass472.499 Da
  • Monoisotopic mass472.197388 Da
  • ChemSpider ID61747700

More details:

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

4-{1-[({6-[4-(Trifluormethyl)benzyl]-6-azaspiro[2.5]oct-5-yl}carbonyl)amino]cyclopropyl}benzoesäure [German] [ACD/IUPAC Name]
4-{1-[({6-[4-(Trifluoromethyl)benzyl]-6-azaspiro[2.5]oct-5-yl}carbonyl)amino]cyclopropyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{1-[({6-[4-(trifluorométhyl)benzyl]-6-azaspiro[2.5]oct-5-yl}carbonyl)amino]cyclopropyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[[[6-[[4-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct-5-yl]carbonyl]amino]cyclopropyl]- [ACD/Index Name]
Cr-6086
1417742-86-9 [RN]
SS2LQQ8094

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 337.0±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 7.48
ACD/KOC (pH 5.5): 30.95
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 15.12
Polar Surface Area: 70 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 342.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement