4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine

• ChemBase ID: 416816
• Molecular Formular: C10H12F3N3O
• Molecular Mass: 247.2169896
• Monoisotopic Mass: 247.09324668
• SMILES: C(C1CN(c2nnc(cc2)C)CCO1)(F)(F)F
• Canonical SMILES: Cc1ccc(nn1)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C10H12F3N3O/c1-7-2-3-9(15-14-7)16-4-5-17-8(6-16)10(11,12)13/h2-3,8H,4-6H2,1H3
• InChIKey: PDWDQTWYBHYQRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
• Synonyms: 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3754528
• LogD (pH = 7.4): 1.405639
• Log P: 1.4060378
• Molar Refractivity: 57.2928 cm^3
• Polarizability: 20.10815 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.67
• LOG S: -1.58
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2