ChemSpider 2D Image | 3-(2-Methoxyphenyl)-2-methyl-3-(1-naphthyl)-2-({4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}carbonyl)propanenitrile | C34H31F3N2O2

3-(2-Methoxyphenyl)-2-methyl-3-(1-naphthyl)-2-({4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}carbonyl)propanenitrile

  • Molecular FormulaC34H31F3N2O2
  • Average mass556.617 Da
  • Monoisotopic mass556.233765 Da
  • ChemSpider ID28655006

More details:






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

1-Piperidinepropanenitrile, α-[(2-methoxyphenyl)-1-naphthalenylmethyl]-α-methyl-β-oxo-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-(2-Methoxyphenyl)-2-methyl-3-(1-naphthyl)-2-({4-[3-(trifluormethyl)phenyl]-1-piperidinyl}carbonyl)propannitril [German] [ACD/IUPAC Name]
3-(2-Methoxyphenyl)-2-methyl-3-(1-naphthyl)-2-({4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}carbonyl)propanenitrile [ACD/IUPAC Name]
3-(2-Méthoxyphényl)-2-méthyl-3-(1-naphtyl)-2-({4-[3-(trifluorométhyl)phényl]-1-pipéridinyl}carbonyl)propanenitrile [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 368907.44
ACD/KOC (pH 5.5): 336025.66
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 368907.44
ACD/KOC (pH 7.4): 336025.66
Polar Surface Area: 53 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 452.1±3.0 cm3

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