{[3-(4-fluorophenyl)oxolan-3-yl]methyl}[2-(thiophen-2-yl)ethyl]amine

• ChemBase ID: 590970
• Molecular Formular: C17H20FNOS
• Molecular Mass: 305.4102032
• Monoisotopic Mass: 305.12496349
• SMILES: C1(c2ccc(cc2)F)(COCC1)CNCCc1sccc1
• Canonical SMILES: Fc1ccc(cc1)C1(CNCCc2cccs2)COCC1
• InChI: InChI=1S/C17H20FNOS/c18-15-5-3-14(4-6-15)17(8-10-20-13-17)12-19-9-7-16-2-1-11-21-16/h1-6,11,19H,7-10,12-13H2
• InChIKey: UOPQXZVPRFHOOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(4-fluorophenyl)oxolan-3-yl]methyl}[2-(thiophen-2-yl)ethyl]amine
• IUPAC Traditional name: {[3-(4-fluorophenyl)oxolan-3-yl]methyl}[2-(thiophen-2-yl)ethyl]amine
• Synonyms: N-{[3-(4-fluorophenyl)tetrahydro-3-furanyl]methyl}-2-(2-thienyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.29699296
• LogD (pH = 7.4): 0.9223512
• Log P: 3.5207696
• Molar Refractivity: 84.3093 cm^3
• Polarizability: 32.44681 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.33
• LOG S: -3.27
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6