4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine

• ChemBase ID: 865740
• Molecular Formular: C16H20F3NO4
• Molecular Mass: 347.3295096
• Monoisotopic Mass: 347.13444279
• SMILES: C(=O)(N1CC(C(F)(F)F)OCC1)c1c(OCCOCC)cccc1
• Canonical SMILES: CCOCCOc1ccccc1C(=O)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C16H20F3NO4/c1-2-22-9-10-23-13-6-4-3-5-12(13)15(21)20-7-8-24-14(11-20)16(17,18)19/h3-6,14H,2,7-11H2,1H3
• InChIKey: XSTMMRYTGDMCIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine
• Synonyms: 4-[2-(2-ethoxyethoxy)benzoyl]-2-(trifluoromethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2197623
• LogD (pH = 7.4): 2.2197623
• Log P: 2.2197623
• Molar Refractivity: 81.3799 cm^3
• Polarizability: 30.495928 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.47
• LOG S: -2.99
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7