N,N-dimethyl-1-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]pyrrolidine-2-carboxamide

• ChemBase ID: 340843
• Molecular Formular: C12H18F4N2O3
• Molecular Mass: 314.2765328
• Monoisotopic Mass: 314.12535533
• SMILES: N1(C(C(=O)N(C)C)CCC1)C(=O)COCC(C(F)F)(F)F
• Canonical SMILES: O=C(C1CCCN1C(=O)COCC(C(F)F)(F)F)N(C)C
• InChI: InChI=1S/C12H18F4N2O3/c1-17(2)10(20)8-4-3-5-18(8)9(19)6-21-7-12(15,16)11(13)14/h8,11H,3-7H2,1-2H3
• InChIKey: OKMJBQMYUFKFOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-1-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]pyrrolidine-2-carboxamide
• Synonyms: N,N-dimethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]pyrrolidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.696436
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1460673
• LogD (pH = 7.4): 0.1460673
• Log P: 0.1460673
• Molar Refractivity: 64.9276 cm^3
• Polarizability: 24.672625 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.26
• LOG S: -3.02
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5