2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide

• ChemBase ID: 99346
• Molecular Formular: C9H2F17NO3
• Molecular Mass: 495.0899344
• Monoisotopic Mass: 494.97632267
• SMILES: O(C(C(C(F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(OC(C(F)(F)F)(C(=O)N)F)(F)F)F
• Canonical SMILES: NC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C9H2F17NO3/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H2,27,28)
• InChIKey: LEBNQGASTHOFJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide
• Synonyms: 2-[1,1,2,3,3,3-Hexafluoro-2-(heptafluoropropoxy)propoxy]-2,3,3,3-tetrafluoropropanamide; Perfluoro-2,5-dimethyl-3,6-dioxanonanamide

Database IDs

• PubChem SID: 162105274
• PubChem CID: 12604750

CALCULATED PROPERTIES

• Acid pKa: 2.9373834
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.8525257
• LogD (pH = 7.4): 5.853078
• Log P: 5.57603
• Molar Refractivity: 53.7747 cm^3
• Polarizability: 20.744667 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant