ChemSpider 2D Image | cis-3-[(S)-Hydroxy(2-pyridinyl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutanol | C17H17F3N2O2

cis-3-[(S)-Hydroxy(2-pyridinyl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutanol

  • Molecular FormulaC17H17F3N2O2
  • Average mass338.324 Da
  • Monoisotopic mass338.124207 Da
  • ChemSpider ID58922619

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyridinemethanol, α-[cis-3-hydroxy-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]cyclobutyl]-, (αS)- [ACD/Index Name]
cis-3-[(S)-Hydroxy(2-pyridinyl)methyl]-1-methyl-3-[4-(trifluormethyl)-2-pyridinyl]cyclobutanol [German] [ACD/IUPAC Name]
cis-3-[(S)-Hydroxy(2-pyridinyl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutanol [ACD/IUPAC Name]
cis-3-[(S)-Hydroxy(2-pyridinyl)méthyl]-1-méthyl-3-[4-(trifluorométhyl)-2-pyridinyl]cyclobutanol [French] [ACD/IUPAC Name]
1432051-63-2 [RN]
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]cyclobutan-1-ol
TRPV3 antagonist 74a

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

Density: 1.4±0.1 g/cm3
Boiling Point: 447.8±45.0 °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: 224.6±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.16
ACD/KOC (pH 5.5): 139.30
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 150.22
Polar Surface Area: 66 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 245.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement