ChemSpider 2D Image | (R)-Cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate | C26H23F2NO4

(R)-Cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate

  • Molecular FormulaC26H23F2NO4
  • Average mass451.462 Da
  • Monoisotopic mass451.159515 Da
  • ChemSpider ID34985188

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[4-(Difluorométhoxy)phényl]-3-méthylbutanoate de (R)-cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]
(R)-Cyan(3-phenoxyphenyl)methyl-(2S)-2-[4-(difluormethoxy)phenyl]-3-methylbutanoat [German] [ACD/IUPAC Name]
(R)-Cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate [ACD/IUPAC Name]
Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, (R)-cyano(3-phenoxyphenyl)methyl ester, (αS)- [ACD/Index Name]
274-322-7 [EINECS]
70124-77-5 [RN]
Flucythrinate [ISO] [Wiki]
UNII-57D0GAO3RX

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.5±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22877.26
ACD/KOC (pH 5.5): 45924.81
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22877.26
ACD/KOC (pH 7.4): 45924.81
Polar Surface Area: 69 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 370.1±3.0 cm3

Click to predict properties on the Chemicalize site


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