1,1,1,2,2,3,3-heptafluoro-3-(pentafluoroethoxy)propane

• ChemBase ID: 93420
• Molecular Formular: C5F12O
• Molecular Mass: 304.0337384
• Monoisotopic Mass: 303.97575326
• SMILES: FC(F)(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
• Canonical SMILES: FC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F12O/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13
• InChIKey: YBVRDNKKIWCSHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-3-(pentafluoroethoxy)propane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoro-3-(pentafluoroethoxy)propane
• Synonyms: AflunoxTM 14013; AflunoxTM 1406; AflunoxTM 6008; AflunoxTM 606; AflunoxTM 2507; Perfluoropolyether, linear; 1-(Pentafluoroethoxy)heptafluoropropane; Heptafluoropropyl pentafluoroethyl ether

Database IDs

• CAS Number: 52700-35-3
• MDL Number: MFCD00166448; MFCD00240735; MFCD09998168
• PubChem SID: 162080105
• PubChem CID: 10968705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.431662
• LogD (pH = 7.4): 4.431662
• Log P: 4.431662
• Molar Refractivity: 29.7109 cm^3
• Polarizability: 11.363584 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -30°C; -45°C; -55°C; -60°C; -65°C
• Boiling Point: 160-215°C/0.05mm
• Flash Point: none°C
• Density: 1.873; 1.88; 1.89
• Refractive Index: 1.295

Safety Information

• Storage Warning: Flammable; Irritant

DETAILS

Apollo Scientific Ltd - PC1002E

x = 12; viscosity 68 cst@200C

Apollo Scientific Ltd - PC1002N

Perfluoropolyether fluids are inert to aggressive reagents including elemental fluorine. Aflunox 2507 is an excellent inert lubricant for laboratory stirrer seals.

Apollo Scientific Ltd - PC0767

x = 65; viscosity 1400 cst@200C