ChemSpider 2D Image | A-935142 | C18H19F3N2O2

A-935142

  • Molecular FormulaC18H19F3N2O2
  • Average mass352.351 Da
  • Monoisotopic mass352.139862 Da
  • ChemSpider ID34980743

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(trans-4-{4-[3-(Trifluormethyl)-1H-pyrazol-5-yl]phenyl}cyclohexyl)essigsäure [German] [ACD/IUPAC Name]
(trans-4-{4-[3-(Trifluoromethyl)-1H-pyrazol-5-yl]phenyl}cyclohexyl)acetic acid [ACD/IUPAC Name]
A-935142
Acide (trans-4-{4-[3-(trifluorométhyl)-1H-pyrazol-5-yl]phényl}cyclohexyl)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl]-, trans- [ACD/Index Name]
1031335-85-9 [RN]
2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid
A 935142
A 935142|A935142
A935142

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.8±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 518.77
ACD/KOC (pH 5.5): 1760.41
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 8.22
ACD/KOC (pH 7.4): 27.90
Polar Surface Area: 66 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

Click to predict properties on the Chemicalize site


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