Found 157 results

Search term: MF = 'C_{19}H_{25}FN_{2}'
ChemSpider 2D Image | (2R,3S,6R)-5-(Cyclopropylmethyl)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.0~2,6~]undecane | C19H25FN2

(2R,3S,6R)-5-(Cyclopropylmethyl)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane

  • Molecular FormulaC19H25FN2
  • Average mass300.414 Da
  • Monoisotopic mass300.200165 Da
  • ChemSpider ID29548179

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,6R)-5-(Cyclopropylmethyl)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane [ACD/IUPAC Name]
(2R,3S,6R)-5-(Cyclopropylméthyl)-3-(4-fluorophényl)-1,5-diazatricyclo[5.2.2.02,6]undécane [French] [ACD/IUPAC Name]
(2R,3S,6R)-5-(Cyclopropylmethyl)-3-(4-fluorphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan [German] [ACD/IUPAC Name]
4,7-Ethano-4H-pyrrolo[3,2-b]pyridine, 1-(cyclopropylmethyl)-3-(4-fluorophenyl)octahydro-, (3S,3aR,7aR)- [ACD/Index Name]
(2R*,3S*,6R*)-5-(cyclopropylmethyl)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 407.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.2±25.9 °C
Index of Refraction: 1.614
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 27.80
Polar Surface Area: 6 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 248.4±5.0 cm3

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