2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethan-1-ol

• ChemBase ID: 12072
• Molecular Formular: C8H3F15O3
• Molecular Mass: 432.083668
• Monoisotopic Mass: 431.98426726
• SMILES: C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CO)(F)F
• Canonical SMILES: OCC(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F15O3/c9-2(10,1-24)25-7(20,21)8(22,23)26-6(18,19)4(13,14)3(11,12)5(15,16)17/h24H,1H2
• InChIKey: ZPLAXWXACBJHSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethanol
• Synonyms: 1H,1H-Perfluoro-3,6-dioxadecan-1-ol

Database IDs

• CAS Number: 152914-73-3
• MDL Number: MFCD03094403
• PubChem SID: 160975379
• PubChem CID: 2778631

CALCULATED PROPERTIES

• Acid pKa: 11.924599
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.1364083
• LogD (pH = 7.4): 5.1363955
• Log P: 5.1364083
• Molar Refractivity: 47.3948 cm^3
• Polarizability: 18.16075 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 150°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%