2,2,3,3,3-pentafluoropropyl acetate

• ChemBase ID: 94775
• Molecular Formular: C5H5F5O2
• Molecular Mass: 192.084016
• Monoisotopic Mass: 192.0209705
• SMILES: O=C(C)OCC(C(F)(F)F)(F)F
• Canonical SMILES: CC(=O)OCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C5H5F5O2/c1-3(11)12-2-4(6,7)5(8,9)10/h2H2,1H3
• InChIKey: VGXWWKJBLFEJLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,3-pentafluoropropyl acetate
• IUPAC Traditional name: 2,2,3,3,3-pentafluoropropyl acetate
• Synonyms: 2,2,3,3,3-Pentafluoropropyl acetate

Database IDs

• MDL Number: MFCD09998079
• PubChem SID: 162081429
• PubChem CID: 26985490

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5782872
• LogD (pH = 7.4): 1.5782872
• Log P: 1.5782872
• Molar Refractivity: 27.5309 cm^3
• Polarizability: 10.574117 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable