2,2,3,3,4,4,5,5-octafluoropentanamide

• ChemBase ID: 95473
• Molecular Formular: C5H3F8NO
• Molecular Mass: 245.0706456
• Monoisotopic Mass: 245.00868948
• SMILES: FC(C(C(=O)N)(F)F)(C(C(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(=O)N)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5H3F8NO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H2,14,15)
• InChIKey: QNNUQHBPTQVSFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoropentanamide
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoropentanamide
• Synonyms: 2,2,3,3,4,4,5,5-octafluoropentanamide

Database IDs

• MDL Number: MFCD00193789
• PubChem SID: 162082122
• PubChem CID: 2063303

CALCULATED PROPERTIES

• Acid pKa: 4.763359
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9593034
• LogD (pH = 7.4): 1.9917915
• Log P: 1.7152079
• Molar Refractivity: 28.5904 cm^3
• Polarizability: 11.254954 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true