ChemSpider 2D Image | 2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-3-(trifluoromethyl)-1,4-naphthoquinone | C31H43F3O2

2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-3-(trifluoromethyl)-1,4-naphthoquinone

  • Molecular FormulaC31H43F3O2
  • Average mass504.667 Da
  • Monoisotopic mass504.321503 Da
  • ChemSpider ID4947898

  • 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

1,4-Naphthalenedione, 2-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-3-(trifluoromethyl)- [ACD/Index Name]
2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-3-(trifluormethyl)-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl]-3-(trifluoromethyl)-1,4-naphthoquinone [ACD/IUPAC Name]
2-[(2E,7R,11R)-3,7,11,15-Tétraméthyl-2-hexadécén-1-yl]-3-(trifluorométhyl)-1,4-naphtoquinone [French] [ACD/IUPAC Name]
119052-95-8 [RN]
2-[(2E,7R,11R)-3,7,11,15-TETRAMETHYLHEXADEC-2-EN-1-YL]-3-(TRIFLUOROMETHYL)NAPHTHALENE-1,4-DIONE
2-Trifluoromethyl-3-phytyl-1,4-naphthoquinone
2-Trifluoromethylphylloquinone
2-Trifluoromethylphytonadione

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

Density: 1.0±0.1 g/cm3
Boiling Point: 524.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 188.0±26.9 °C
Index of Refraction: 1.495
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 13.52
ACD/LogD (pH 5.5): 10.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9551835.00
ACD/LogD (pH 7.4): 10.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9551835.00
Polar Surface Area: 34 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 480.8±3.0 cm3

Click to predict properties on the Chemicalize site


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