2,2,3,3,4,4,5,5-octafluoro-6-(prop-2-enoyloxy)hexyl prop-2-enoate

• ChemBase ID: 6529
• Molecular Formular: C12H10F8O4
• Molecular Mass: 370.1926256
• Monoisotopic Mass: 370.04513456
• SMILES: C(C(COC(=O)C=C)(F)F)(C(C(COC(=O)C=C)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCC(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H10F8O4/c1-3-7(21)23-5-9(13,14)11(17,18)12(19,20)10(15,16)6-24-8(22)4-2/h3-4H,1-2,5-6H2
• InChIKey: BWTMTZBMAGYMOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoro-6-(prop-2-enoyloxy)hexyl prop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoro-6-(prop-2-enoyloxy)hexyl prop-2-enoate
• Synonyms: 1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate; 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexyl diacrylate

Database IDs

• CAS Number: 2264-01-9
• MDL Number: MFCD00078412
• PubChem SID: 160969836
• PubChem CID: 2775863

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.455395
• LogD (pH = 7.4): 4.455395
• Log P: 4.455395
• Molar Refractivity: 60.824 cm^3
• Polarizability: 23.245173 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%