2-(dimethylamino)-2-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

• ChemBase ID: 853218
• Molecular Formular: C12H14F4N2O
• Molecular Mass: 278.2459728
• Monoisotopic Mass: 278.10422596
• SMILES: C(CNC(=O)C(c1ccc(cc1)F)N(C)C)(F)(F)F
• Canonical SMILES: CN(C(c1ccc(cc1)F)C(=O)NCC(F)(F)F)C
• InChI: InChI=1S/C12H14F4N2O/c1-18(2)10(8-3-5-9(13)6-4-8)11(19)17-7-12(14,15)16/h3-6,10H,7H2,1-2H3,(H,17,19)
• InChIKey: ADMQDBHFJNKJLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
• Synonyms: 2-(dimethylamino)-2-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.991853
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5963194
• LogD (pH = 7.4): 1.9490315
• Log P: 2.0252464
• Molar Refractivity: 62.816 cm^3
• Polarizability: 23.217665 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.35
• LOG S: -3.24
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5