ChemSpider 2D Image | trans,trans-4-(3,4-Difluorophenyl)-4'-propyl-1,1'-bi(cyclohexane) | C21H30F2

trans,trans-4-(3,4-Difluorophenyl)-4'-propyl-1,1'-bi(cyclohexane)

  • Molecular FormulaC21H30F2
  • Average mass320.460 Da
  • Monoisotopic mass320.231567 Da
  • ChemSpider ID26496615

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,1's,4r,4'R)-4-(3,4-Difluorophenyl)-4'-propyl-1,1'-bi(cyclohexyl) [ACD/IUPAC Name]
(1r,1's,4r,4'R)-4-(3,4-Difluorophényl)-4'-propyl-1,1'-bi(cyclohexyl) [French] [ACD/IUPAC Name]
(1r,1's,4r,4'R)-4-(3,4-Difluorphenyl)-4'-propyl-1,1'-bi(cyclohexyl) [German] [ACD/IUPAC Name]
82832-57-3 [RN]
Benzene, 1,2-difluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- [ACD/Index Name]
trans,trans-4-(3,4-Difluorophenyl)-4'-propyl-1,1'-bi(cyclohexane)
[82832-57-3] [RN]
1,2-Difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene
DS-13325
MFCD09838997 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 386.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 158.5±13.8 °C
Index of Refraction: 1.498
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 278277.16
ACD/KOC (pH 5.5): 274619.38
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 278277.16
ACD/KOC (pH 7.4): 274619.38
Polar Surface Area: 0 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

Click to predict properties on the Chemicalize site


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