ChemSpider 2D Image | 3,4-Difluorophenyl (1r,1's,4r,4'S)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate | C22H30F2O2

3,4-Difluorophenyl (1r,1's,4r,4'S)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate

  • Molecular FormulaC22H30F2O2
  • Average mass364.469 Da
  • Monoisotopic mass364.221375 Da
  • ChemSpider ID57422536

  • 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'S)-4'-Propyl-1,1'-bi(cyclohexyl)-4-carboxylate de 3,4-difluorophényle [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 3,4-difluorophenyl ester [ACD/Index Name]
3,4-Difluorophenyl (1r,1's,4r,4'S)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylate [ACD/IUPAC Name]
3,4-Difluorphenyl-(1r,1's,4r,4'S)-4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylat [German] [ACD/IUPAC Name]
(trans,?trans)?-4'-?propyl-?[1,?1'-?Bicyclohexyl]?-?4-?carboxylic acid 3,?4-?difluorophenyl ester
(trans,trans)-3,4-Difluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
[1,1-Bicyclohexyl]-4-carboxylic acid, 4-propyl-,3,4-difluorophenyl ester, [trans,trans]
94840-77-4 [RN]
DS-19166
MFCD30187304

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 439.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 211.5±20.8 °C
    Index of Refraction: 1.503
    Molar Refractivity: 98.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 8.00
    ACD/LogD (pH 5.5): 7.18
    ACD/BCF (pH 5.5): 169636.72
    ACD/KOC (pH 5.5): 192693.39
    ACD/LogD (pH 7.4): 7.18
    ACD/BCF (pH 7.4): 169636.72
    ACD/KOC (pH 7.4): 192693.39
    Polar Surface Area: 26 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 36.7±3.0 dyne/cm
    Molar Volume: 332.2±3.0 cm3

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