1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

• ChemBase ID: 93571
• Molecular Formular: C7H4F12O
• Molecular Mass: 332.0868984
• Monoisotopic Mass: 332.00705339
• SMILES: O(C(F)(F)C(F)F)CC(C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H4F12O/c8-2(9)5(14,15)7(18,19)4(12,13)1-20-6(16,17)3(10)11/h2-3H,1H2
• InChIKey: ZNBGTBKGFZMWKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
• Synonyms: 1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether; 1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

Database IDs

• CAS Number: 16627-71-7
• MDL Number: MFCD00155904
• PubChem SID: 162080256
• PubChem CID: 2782579

CALCULATED PROPERTIES

• Acid pKa: 18.829731
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.007288
• LogD (pH = 7.4): 4.007288
• Log P: 4.007288
• Molar Refractivity: 36.7024 cm^3
• Polarizability: 14.454185 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 133°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%