ChemSpider 2D Image | cis-flocoumafen | C33H25F3O4

cis-flocoumafen

  • Molecular FormulaC33H25F3O4
  • Average mass542.544 Da
  • Monoisotopic mass542.170471 Da
  • ChemSpider ID32698719

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

104563-61-3 [RN]
2H-1-Benzopyran-2-one, 4-hydroxy-3-[(1R,3S)-1,2,3,4-tetrahydro-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-naphthalenyl]- [ACD/Index Name]
4-Hydroxy-3-[(1R,3S)-3-(4-{[4-(trifluormethyl)benzyl]oxy}phenyl)-1,2,3,4-tetrahydro-1-naphthalinyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(1R,3S)-3-(4-{[4-(trifluorométhyl)benzyl]oxy}phényl)-1,2,3,4-tétrahydro-1-naphtalényl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-Hydroxy-3-[(1R,3S)-3-(4-{[4-(trifluoromethyl)benzyl]oxy}phenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2H-chromen-2-one [ACD/IUPAC Name]
cis-flocoumafen
4-hydroxy-3-[(1R,3S)-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
90035-08-8 [RN]
Flocoumafen [BSI] [ISO] [Wiki]
FLOCOUMAFEN, CIS-
More...

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

957E1M6P6N [DBID]
UNII:957E1M6P6N [DBID]
UNII-957E1M6P6N [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.5±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 58165.33
ACD/KOC (pH 5.5): 45346.45
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 1003.37
ACD/KOC (pH 7.4): 782.24
Polar Surface Area: 56 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 402.4±3.0 cm3

Click to predict properties on the Chemicalize site


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