2,2,3,3,4,4-hexafluoro-5-[(2-methylprop-2-enoyl)oxy]pentyl 2-methylprop-2-enoate

• ChemBase ID: 6537
• Molecular Formular: C13H14F6O4
• Molecular Mass: 348.2382792
• Monoisotopic Mass: 348.07962825
• SMILES: O=C(OCC(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F
• InChI: InChI=1S/C13H14F6O4/c1-7(2)9(20)22-5-11(14,15)13(18,19)12(16,17)6-23-10(21)8(3)4/h1,3,5-6H2,2,4H3
• InChIKey: KVQKTWAXEMSAGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4-hexafluoro-5-[(2-methylprop-2-enoyl)oxy]pentyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4-hexafluoro-5-[(2-methylprop-2-enoyl)oxy]pentyl 2-methylprop-2-enoate
• Synonyms: 2,2,3,3,4,4-Hexafluoro-1,5-pentyl dimethacrylate; 1H,1H,5H,5H-Perfluoropent-1,5-diyl dimethacrylate; 2,2,3,3,4,4-Hexafluoropent-1,5-diyl dimethacrylate

Database IDs

• CAS Number: 918-36-5
• MDL Number: MFCD00069086
• PubChem SID: 160969844
• PubChem CID: 2778280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5458536
• LogD (pH = 7.4): 4.5458536
• Log P: 4.5458536
• Molar Refractivity: 64.8702 cm^3
• Polarizability: 24.961605 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4105

Safety Information

• Storage Warning: Flammable/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%