ChemSpider 2D Image | HSD-016 | C21H21F7N2O3S

HSD-016

  • Molecular FormulaC21H21F7N2O3S
  • Average mass514.457 Da
  • Monoisotopic mass514.116089 Da
  • ChemSpider ID17625487

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1,1,1-Trifluor-2-[3-({(2R)-4-[4-fluor-2-(trifluormethyl)phenyl]-2-methyl-1-piperazinyl}sulfonyl)phenyl]-2-propanol [German] [ACD/IUPAC Name]
(2R)-1,1,1-Trifluoro-2-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl}sulfonyl)phenyl]-2-propanol [ACD/IUPAC Name]
(2R)-1,1,1-Trifluoro-2-[3-({(2R)-4-[4-fluoro-2-(trifluorométhyl)phényl]-2-méthyl-1-pipérazinyl}sulfonyl)phényl]-2-propanol [French] [ACD/IUPAC Name]
946396-92-5 [RN]
Benzenemethanol, 3-[[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl]sulfonyl]-α-methyl-α-(trifluoromethyl)-, (αR)- [ACD/Index Name]
C4I13768E1
HSD-016
(2R)-1,1,1-trifluoro-2-[3-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]propan-2-ol
(2R)-1,1,1-trifluoro-2-[3-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylphenyl]propan-2-ol
(2R)-1,1,1-trifluoro-2-[3-[[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl]sulfonyl]phenyl]propan-2-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 563.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 294.8±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1222.95
ACD/KOC (pH 5.5): 5633.18
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1230.83
ACD/KOC (pH 7.4): 5669.51
Polar Surface Area: 69 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 361.8±3.0 cm3

Click to predict properties on the Chemicalize site


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