ChemSpider 2D Image | (2S)-1,1,1-Trifluoro-3-phenyl-2-propanamine | C9H10F3N

(2S)-1,1,1-Trifluoro-3-phenyl-2-propanamine

  • Molecular FormulaC9H10F3N
  • Average mass189.178 Da
  • Monoisotopic mass189.076538 Da
  • ChemSpider ID26496211

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1,1-Trifluor-3-phenyl-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1,1,1-Trifluoro-3-phenyl-2-propanamine [ACD/IUPAC Name]
(2S)-1,1,1-Trifluoro-3-phényl-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-(trifluoromethyl)-, (αS)- [ACD/Index Name]
(2S)-1,1,1-trifluoro-3-phenylpropan-2-amine
(S)-3,3,3-Trifluoro-1-phenyl-2-propylamine
35373-60-5 [RN]
763907-26-2 [RN]
FS-6466
MFCD16817688 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 226.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 94.6±12.0 °C
Index of Refraction: 1.470
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 7.09
ACD/KOC (pH 5.5): 108.51
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.66
ACD/KOC (pH 7.4): 270.28
Polar Surface Area: 26 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 30.4±3.0 dyne/cm
Molar Volume: 159.2±3.0 cm3

Click to predict properties on the Chemicalize site


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