Found 1302 results

Search term: MF = 'C_{16}H_{10}F_{3}NO'
ChemSpider 2D Image | 2-[3-(3,4,5-Trifluorophenyl)propanoyl]benzonitrile | C16H10F3NO

2-[3-(3,4,5-Trifluorophenyl)propanoyl]benzonitrile

  • Molecular FormulaC16H10F3NO
  • Average mass289.252 Da
  • Monoisotopic mass289.071442 Da
  • ChemSpider ID21401334

More details:

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

2-[1-Oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile
2-[3-(3,4,5-Trifluorophenyl)propanoyl]benzonitrile [ACD/IUPAC Name]
2-[3-(3,4,5-Trifluorophényl)propanoyl]benzonitrile [French] [ACD/IUPAC Name]
2-[3-(3,4,5-Trifluorphenyl)propanoyl]benzonitril [German] [ACD/IUPAC Name]
898777-70-3 [RN]
Benzonitrile, 2-[1-oxo-3-(3,4,5-trifluorophenyl)propyl]- [ACD/Index Name]
2'-cyano-3-(3,4,5-trifluorophenyl)propiophenone
2-cyano-3-(3,4,5-trifluorophenyl)propiophenone
97%
MFCD03844030 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 428.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 212.9±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.13
ACD/KOC (pH 5.5): 2200.85
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.13
ACD/KOC (pH 7.4): 2200.85
Polar Surface Area: 41 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 220.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement