Found 3 results

Search term: MF = 'C_{21}H_{21}ClF_{2}O_{2}S'
ChemSpider 2D Image | 2-{(1S,3R)-3-Allyl-1-[(4-chlorophenyl)sulfonyl]cyclohexyl}-1,4-difluorobenzene | C21H21ClF2O2S

2-{(1S,3R)-3-Allyl-1-[(4-chlorophenyl)sulfonyl]cyclohexyl}-1,4-difluorobenzene

  • Molecular FormulaC21H21ClF2O2S
  • Average mass410.905 Da
  • Monoisotopic mass410.091888 Da
  • ChemSpider ID23272896

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1S,3R)-1-[(4-chlorophenyl)sulfonyl]-3-(prop-2-en-1-yl)cyclohexyl]-1,4-difluorobenzene
2-{(1S,3R)-3-Allyl-1-[(4-chlorophenyl)sulfonyl]cyclohexyl}-1,4-difluorobenzene [ACD/IUPAC Name]
2-{(1S,3R)-3-Allyl-1-[(4-chlorophényl)sulfonyl]cyclohexyl}-1,4-difluorobenzène [French] [ACD/IUPAC Name]
2-{(1S,3R)-3-Allyl-1-[(4-chlorphenyl)sulfonyl]cyclohexyl}-1,4-difluorbenzol [German] [ACD/IUPAC Name]
4-chlorophenyl (1S,3R)-1-(2,5-difluorophenyl)-3-(prop-2-en-1-yl)cyclohexyl sulfone
Benzene, 2-[(1S,3R)-1-[(4-chlorophenyl)sulfonyl]-3-(2-propen-1-yl)cyclohexyl]-1,4-difluoro- [ACD/Index Name]
CHEMBL377892
trans-1-(3-allyl-1-(2,5-difluorophenyl)cyclohexylsulfonyl)-4-chlorobenzene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 525.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 271.3±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13763.33
ACD/KOC (pH 5.5): 31921.70
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13763.33
ACD/KOC (pH 7.4): 31921.70
Polar Surface Area: 43 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 325.9±3.0 cm3

Click to predict properties on the Chemicalize site


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