1-ethoxy-1,1,2,2,2-pentafluoroethane

• ChemBase ID: 9609
• Molecular Formular: C4H5F5O
• Molecular Mass: 164.073916
• Monoisotopic Mass: 164.02605588
• SMILES: C(OCC)(C(F)(F)F)(F)F
• Canonical SMILES: CCOC(C(F)(F)F)(F)F
• InChI: InChI=1S/C4H5F5O/c1-2-10-4(8,9)3(5,6)7/h2H2,1H3
• InChIKey: CRJVPUWOURIOCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-1,1,2,2,2-pentafluoroethane
• IUPAC Traditional name: 1-ethoxy-1,1,2,2,2-pentafluoroethane
• Synonyms: HFE-365; Ethyl pentafluoroethyl ether 98%; Pentafluoroethyl ethyl ether

Database IDs

• CAS Number: 22052-81-9
• MDL Number: MFCD01862046
• PubChem SID: 160972916
• PubChem CID: 2775947

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2845924
• LogD (pH = 7.4): 2.2845924
• Log P: 2.2845924
• Molar Refractivity: 23.7763 cm^3
• Polarizability: 8.615353 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 29-30°C

Safety Information

• Storage Warning: Flammable; GAS, FLAMMABLE
• TSCA Listed: false

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC8543

Cylinder - 1/4" NPT connection