ChemSpider 2D Image | (1S)-3-Amino-1-[4-(trifluoromethyl)phenyl]-1H-benzo[f]chromene-2-carbonitrile | C21H13F3N2O

(1S)-3-Amino-1-[4-(trifluoromethyl)phenyl]-1H-benzo[f]chromene-2-carbonitrile

  • Molecular FormulaC21H13F3N2O
  • Average mass366.336 Da
  • Monoisotopic mass366.097992 Da
  • ChemSpider ID62323438

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-3-Amino-1-[4-(trifluormethyl)phenyl]-1H-benzo[f]chromen-2-carbonitril [German] [ACD/IUPAC Name]
(1S)-3-Amino-1-[4-(trifluoromethyl)phenyl]-1H-benzo[f]chromene-2-carbonitrile [ACD/IUPAC Name]
(1S)-3-Amino-1-[4-(trifluorométhyl)phényl]-1H-benzo[f]chromène-2-carbonitrile [French] [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-2-carbonitrile, 3-amino-1-[4-(trifluoromethyl)phenyl]-, (1S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4432.22
ACD/KOC (pH 5.5): 14177.20
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4441.24
ACD/KOC (pH 7.4): 14206.04
Polar Surface Area: 59 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 258.3±5.0 cm3

Click to predict properties on the Chemicalize site


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