ChemSpider 2D Image | (3-{[1-(2-Chloro-4-fluorobenzyl)-3-pyrrolidinyl]methyl}phenyl)methanol | C19H21ClFNO

(3-{[1-(2-Chloro-4-fluorobenzyl)-3-pyrrolidinyl]methyl}phenyl)methanol

  • Molecular FormulaC19H21ClFNO
  • Average mass333.828 Da
  • Monoisotopic mass333.129578 Da
  • ChemSpider ID29492660

More details:

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

(3-{[1-(2-Chlor-4-fluorbenzyl)-3-pyrrolidinyl]methyl}phenyl)methanol [German] [ACD/IUPAC Name]
(3-{[1-(2-Chloro-4-fluorobenzyl)-3-pyrrolidinyl]methyl}phenyl)methanol [ACD/IUPAC Name]
(3-{[1-(2-Chloro-4-fluorobenzyl)-3-pyrrolidinyl]méthyl}phényl)méthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-[[1-[(2-chloro-4-fluorophenyl)methyl]-3-pyrrolidinyl]methyl]- [ACD/Index Name]
(3-{[1-(2-chloro-4-fluorobenzyl)pyrrolidin-3-yl]methyl}phenyl)methanol
[3-({1-[(2-CHLORO-4-FLUOROPHENYL)METHYL]PYRROLIDIN-3-YL}METHYL)PHENYL]METHANOL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.3±27.3 °C
Index of Refraction: 1.605
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 12.42
ACD/KOC (pH 7.4): 91.02
Polar Surface Area: 23 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 266.4±3.0 cm3

Click to predict properties on the Chemicalize site


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