1,1,2-trifluoro-2-(pentafluoroethoxy)ethene

• ChemBase ID: 12057
• Molecular Formular: C4F8O
• Molecular Mass: 216.0294256
• Monoisotopic Mass: 215.98214038
• SMILES: C(C(OC(=C(F)F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(=C(OC(C(F)(F)F)(F)F)F)F
• InChI: InChI=1S/C4F8O/c5-1(6)2(7)13-4(11,12)3(8,9)10
• InChIKey: GWTYBAOENKSFAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trifluoro-2-(pentafluoroethoxy)ethene
• IUPAC Traditional name: 1,1,2-trifluoro-2-(pentafluoroethoxy)ethene
• Synonyms: Pentafluoroethyl trifluorovinyl ether

Database IDs

• CAS Number: 10493-43-3
• MDL Number: MFCD02101232
• PubChem SID: 160975364
• PubChem CID: 82672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1354306
• LogD (pH = 7.4): 3.1354306
• Log P: 3.1354306
• Molar Refractivity: 44.0647 cm^3
• Polarizability: 8.82931 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 7°C

Safety Information

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

Product Information

• Purity: 99%