2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide

• ChemBase ID: 95849
• Molecular Formular: C6H2F11NO2
• Molecular Mass: 329.0680152
• Monoisotopic Mass: 328.99098873
• SMILES: O(C(C(C(F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(=O)N)F
• Canonical SMILES: NC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6H2F11NO2/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H2,18,19)
• InChIKey: VQHXSBVNMOZRLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
• Synonyms: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

Database IDs

• MDL Number: MFCD00427173
• PubChem SID: 162082498
• PubChem CID: 2780514

CALCULATED PROPERTIES

• Acid pKa: 4.4865904
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4479196
• LogD (pH = 7.4): 3.466162
• Log P: 3.1893563
• Molar Refractivity: 36.9594 cm^3
• Polarizability: 14.167746 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true