Found 6 results

Search term: AJQMFUYBFQQAKA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1s,4r)-4-Propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexyl) | C22H31F3O

(1s,4r)-4-Propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexyl)

  • Molecular FormulaC22H31F3O
  • Average mass368.476 Da
  • Monoisotopic mass368.232697 Da
  • ChemSpider ID30648981

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1s,4r)-4-Propyl-4'-[4-(trifluormethoxy)phenyl]-1,1'-bi(cyclohexyl) [German] [ACD/IUPAC Name]
(1s,4r)-4-Propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexyl) [ACD/IUPAC Name]
(1s,4r)-4-Propyl-4'-[4-(trifluorométhoxy)phényl]-1,1'-bi(cyclohexyl) [French] [ACD/IUPAC Name]
Benzene, 1-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-4-(trifluoromethoxy)- [ACD/Index Name]
(1S,4R)-4-Propyl-4'-(4-(trifluoromethoxy)phenyl)-1,1'-bi(cyclohexane)
133937-72-1 [RN]
DS-15505
MFCD20488041 [MDL number]
-Propyl-4-(4-trifluoroMethoxy-phenyl)-bicyclohexyl

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

Density: 1.1±0.1 g/cm3
Boiling Point: 400.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 204.9±24.6 °C
Index of Refraction: 1.485
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.80
ACD/LogD (pH 5.5): 7.76
ACD/BCF (pH 5.5): 462594.75
ACD/KOC (pH 5.5): 395114.16
ACD/LogD (pH 7.4): 7.76
ACD/BCF (pH 7.4): 462594.75
ACD/KOC (pH 7.4): 395114.16
Polar Surface Area: 9 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 345.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement