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Search term: DATA_SOURCE in ('Mark Archibald')
ChemSpider 2D Image | (1's,4'r)-4-(3-Fluorophenyl)-4'-propyl-1,1'-bi(cyclohexan)-3-ene | C21H29F

(1's,4'r)-4-(3-Fluorophenyl)-4'-propyl-1,1'-bi(cyclohexan)-3-ene

  • Molecular FormulaC21H29F
  • Average mass300.453 Da
  • Monoisotopic mass300.225342 Da
  • ChemSpider ID18631591

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1's,4'r)-4-(3-Fluorophenyl)-4'-propyl-1,1'-bi(cyclohexan)-3-ene [ACD/IUPAC Name]
(1's,4'r)-4-(3-Fluorophényl)-4'-propyl-1,1'-bi(cyclohexan)-3-ène [French] [ACD/IUPAC Name]
(1's,4'r)-4-(3-Fluorphenyl)-4'-propyl-1,1'-bi(cyclohexan)-3-en [German] [ACD/IUPAC Name]
Benzene, 1-fluoro-3-[4-(trans-4-propylcyclohexyl)-1-cyclohexen-1-yl]- [ACD/Index Name]
trans-3'-Fluoro-4-(4-propylcyclohexyl)-2,3,4,5-tetrahydro-1,1'-biphenyl

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.8±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 180.3±12.3 °C
Index of Refraction: 1.521
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 106056.55
ACD/KOC (pH 5.5): 137676.03
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 106056.55
ACD/KOC (pH 7.4): 137676.03
Polar Surface Area: 0 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 300.3±3.0 cm3

Click to predict properties on the Chemicalize site


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