2-(3,4-dichlorophenyl)-4-(3-fluoropropyl)morpholine

• ChemBase ID: 535839
• Molecular Formular: C13H16Cl2FNO
• Molecular Mass: 292.1766432
• Monoisotopic Mass: 291.05929772
• SMILES: c1(C2CN(CCCF)CCO2)cc(c(cc1)Cl)Cl
• Canonical SMILES: FCCCN1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C13H16Cl2FNO/c14-11-3-2-10(8-12(11)15)13-9-17(5-1-4-16)6-7-18-13/h2-3,8,13H,1,4-7,9H2
• InChIKey: JUUUHQWHJJDJOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-(3-fluoropropyl)morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-(3-fluoropropyl)morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(3-fluoropropyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5060773
• LogD (pH = 7.4): 3.2023635
• Log P: 3.2249482
• Molar Refractivity: 72.4206 cm^3
• Polarizability: 28.221714 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.37
• LOG S: -3.2
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4