1,1,1,2,2-pentafluoro-2-(pentafluoroethoxy)ethane

• ChemBase ID: 98466
• Molecular Formular: C4F10O
• Molecular Mass: 254.026232
• Monoisotopic Mass: 253.97894682
• SMILES: O(C(F)(F)C(F)(F)F)C(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(OC(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C4F10O/c5-1(6,7)3(11,12)15-4(13,14)2(8,9)10
• InChIKey: ORNGPPZBMMHKPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoro-2-(pentafluoroethoxy)ethane
• IUPAC Traditional name: 1,1,1,2,2-pentafluoro-2-(pentafluoroethoxy)ethane
• Synonyms: Perfluorodiethyl ether

Database IDs

• CAS Number: 358-21-4
• PubChem SID: 162084892
• PubChem CID: 9658

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7310193
• LogD (pH = 7.4): 3.7310193
• Log P: 3.7310193
• Molar Refractivity: 25.0429 cm^3
• Polarizability: 9.445694 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable