ChemSpider 2D Image | (2S)-3-(4-Fluorophenyl)-2-butanamine | C10H14FN

(2S)-3-(4-Fluorophenyl)-2-butanamine

  • Molecular FormulaC10H14FN
  • Average mass167.223 Da
  • Monoisotopic mass167.111023 Da
  • ChemSpider ID65734072

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-3-(4-Fluorophenyl)-2-butanamine [ACD/IUPAC Name]
(2S)-3-(4-Fluorophényl)-2-butanamine [French] [ACD/IUPAC Name]
(2S)-3-(4-Fluorphenyl)-2-butanamin [German] [ACD/IUPAC Name]
Benzeneethanamine, 4-fluoro-α,β-dimethyl-, (αS)- [ACD/Index Name]
(2S)-3-(4-fluorophenyl)butan-2-amine
2228020-09-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 218.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 96.0±8.3 °C
Index of Refraction: 1.503
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 26 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 164.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement