1,1,1,2,2-pentafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane

• ChemBase ID: 6776
• Molecular Formular: C5H3F9O
• Molecular Mass: 250.0623488
• Monoisotopic Mass: 250.0040187
• SMILES: C(C(COC(F)(F)C(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(OCC(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5H3F9O/c6-2(7)4(10,11)15-1-3(8,9)5(12,13)14/h2H,1H2
• InChIKey: RPSFZSRVLPIAMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
• IUPAC Traditional name: 1,1,1,2,2-pentafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
• Synonyms: 2,2,3,3,3-Pentafluoropropyl 1,1,2,2-tetrafluoro-ethyl ether; 2,2,3,3,3-Pentafluoropropyl 1,1,2,2-tetrafluoroethyl ether 97%

Database IDs

• CAS Number: 50807-74-4
• MDL Number: MFCD00236117
• PubChem SID: 160970083
• PubChem CID: 2776016

CALCULATED PROPERTIES

• Acid pKa: 18.880165
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0947628
• LogD (pH = 7.4): 3.0947628
• Log P: 3.0947628
• Molar Refractivity: 28.2561 cm^3
• Polarizability: 10.801962 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68°C
• Density: 1.567
• Refractive Index: 1.283

Safety Information

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

Product Information

• Purity: 97%