1,1,1,2,3,3-hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane

• ChemBase ID: 12075
• Molecular Formular: C6H3F11O
• Molecular Mass: 300.0698552
• Monoisotopic Mass: 300.00082514
• SMILES: O(CC(C(F)(F)F)(F)F)C(C(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(OCC(C(F)(F)F)(F)F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6H3F11O/c7-2(4(10,11)12)5(13,14)18-1-3(8,9)6(15,16)17/h2H,1H2
• InChIKey: JOROOXPAFHWVRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane
• IUPAC Traditional name: 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane
• Synonyms: 1H,1H,2'H-Perfluorodipropyl ether

Database IDs

• CAS Number: 1000-28-8
• MDL Number: MFCD03411203
• PubChem SID: 160975382
• PubChem CID: 2778519

CALCULATED PROPERTIES

• Acid pKa: 14.988753
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8442802
• LogD (pH = 7.4): 3.8442802
• Log P: 3.8442802
• Molar Refractivity: 33.4162 cm^3
• Polarizability: 12.718811 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%