2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine

• ChemBase ID: 322934
• Molecular Formular: C17H24F3NO
• Molecular Mass: 315.3737696
• Monoisotopic Mass: 315.18099905
• SMILES: C(F)(F)(F)CCCN1CC(OCC1)CCCc1ccccc1
• Canonical SMILES: FC(CCCN1CCOC(C1)CCCc1ccccc1)(F)F
• InChI: InChI=1S/C17H24F3NO/c18-17(19,20)10-5-11-21-12-13-22-16(14-21)9-4-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2
• InChIKey: KABJRJLBWTZLFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine
• IUPAC Traditional name: 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine
• Synonyms: 2-(3-phenylpropyl)-4-(4,4,4-trifluorobutyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7907639
• LogD (pH = 7.4): 4.2527747
• Log P: 4.447768
• Molar Refractivity: 81.9593 cm^3
• Polarizability: 31.150867 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.16
• LOG S: -4.23
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2