2,2,3,3,3-pentafluoropropyl 2-fluoroprop-2-enoate

• ChemBase ID: 97946
• Molecular Formular: C6H4F6O2
• Molecular Mass: 222.0851792
• Monoisotopic Mass: 222.01154869
• SMILES: FC(=C)C(=O)OCC(C(F)(F)F)(F)F
• Canonical SMILES: FC(=C)C(=O)OCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C6H4F6O2/c1-3(7)4(13)14-2-5(8,9)6(10,11)12/h1-2H2
• InChIKey: KOEWOWNPLYLJOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,3-pentafluoropropyl 2-fluoroprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,3-pentafluoropropyl 2-fluoroprop-2-enoate
• Synonyms: 2,2,3,3,3-Pentafluoropropyl-2'-fluoroacrylate

Database IDs

• CAS Number: 96250-35-0
• MDL Number: MFCD03424475
• PubChem SID: 162084424
• PubChem CID: 2782526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4955232
• LogD (pH = 7.4): 2.4955232
• Log P: 2.4955232
• Molar Refractivity: 32.3815 cm^3
• Polarizability: 12.085258 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant