ChemSpider 2D Image | CBS-0550 | C20H23F4N3O

CBS-0550

  • Molecular FormulaC20H23F4N3O
  • Average mass397.410 Da
  • Monoisotopic mass397.177734 Da
  • ChemSpider ID23320245

  • Double-bond stereo - Double-bond stereo

More details:

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

887289-02-3 [RN]
Benzamide, N-[(3E)-2-(cyclopropylmethyl)-5-(1,1-dimethylethyl)-1,2-dihydro-1-methyl-3H-pyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)- [ACD/Index Name]
CBS-0550 [Wiki]
N-[(3E)-2-(Cyclopropylmethyl)-1-methyl-5-(2-methyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-yliden]-2-fluor-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[(3E)-2-(Cyclopropylmethyl)-1-methyl-5-(2-methyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[(3E)-2-(Cyclopropylméthyl)-1-méthyl-5-(2-méthyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-ylidène]-2-fluoro-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[(3E)-5-tert-butyl-2-(cyclopropylmethyl)-1-methyl-1,2-dihydro-3H-pyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide
N-[2-(Cyclopropylmethyl)-5-(1,1-dimethylethyl)-1,2-dihydro-1-methyl-3H-pyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide
(E)-N-(5-(tert-butyl)-2-(cyclopropylmethyl)-1-methyl-1H-pyrazol-3(2H)-ylidene)-2-fluoro-3-(trifluoromethyl)benzamide
Benzamide, N-[2-(cyclopropylmethyl)-5-(1,1-dimethylethyl)-1,2-dihydro-1-methyl-3H-pyrazol-3-ylidene]-2-fluoro-3-(trifluoromethyl)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TB180WQ919 [DBID]
UNII:TB180WQ919 [DBID]
UNII-TB180WQ919 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 445.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 223.1±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 98.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1002.03
ACD/KOC (pH 5.5): 4893.06
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1002.42
ACD/KOC (pH 7.4): 4894.98
Polar Surface Area: 36 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 34.8±7.0 dyne/cm
Molar Volume: 311.3±7.0 cm3

Click to predict properties on the Chemicalize site


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