ChemSpider 2D Image | (1S)-4-[8-Fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)-1-butanol | C27H25F3N2O

(1S)-4-[8-Fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)-1-butanol

  • Molecular FormulaC27H25F3N2O
  • Average mass450.495 Da
  • Monoisotopic mass450.191895 Da
  • ChemSpider ID34991609

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-4-[8-Fluor-5-(4-fluorphenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorphenyl)-1-butanol [German] [ACD/IUPAC Name]
(1S)-4-[8-Fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)-1-butanol [ACD/IUPAC Name]
(1S)-4-[8-Fluoro-5-(4-fluorophényl)-1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophényl)-1-butanol [French] [ACD/IUPAC Name]
2H-Pyrido[4,3-b]indole-2-butanol, 8-fluoro-α,5-bis(4-fluorophenyl)-1,3,4,5-tetrahydro-, (αS)- [ACD/Index Name]
70801-02-4 [RN]
flutroline [USAN]
UNII-J922111J7P

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

H1QIB2KD33 [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: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.5±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 31.29
ACD/KOC (pH 5.5): 77.19
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 1549.83
ACD/KOC (pH 7.4): 3822.85
Polar Surface Area: 28 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 351.8±7.0 cm3

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