ChemSpider 2D Image | (1R,3S)-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropyl (2-methyl-3-biphenylyl)acetate | C23H22ClF3O2

(1R,3S)-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropyl (2-methyl-3-biphenylyl)acetate

  • Molecular FormulaC23H22ClF3O2
  • Average mass422.868 Da
  • Monoisotopic mass422.126038 Da
  • ChemSpider ID62296374

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-3-[(1Z)-2-Chlor-3,3,3-trifluor-1-propen-1-yl]-2,2-dimethylcyclopropyl-(2-methyl-3-biphenylyl)acetat [German] [ACD/IUPAC Name]
(1R,3S)-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropyl (2-methyl-3-biphenylyl)acetate [ACD/IUPAC Name]
(2-Méthyl-3-biphénylyl)acétate de (1R,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propén-1-yl]-2,2-diméthylcyclopropyle [French] [ACD/IUPAC Name]
[1,1'-Biphenyl]-3-acetic acid, 2-methyl-, (1R,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 455.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 137.7±17.9 °C
Index of Refraction: 1.553
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113116.24
ACD/KOC (pH 5.5): 144175.56
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 113116.24
ACD/KOC (pH 7.4): 144175.56
Polar Surface Area: 26 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 334.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement