2,2,3,3,4,4-hexafluoro-5-(prop-2-enoyloxy)pentyl prop-2-enoate

• ChemBase ID: 6536
• Molecular Formular: C11H10F6O4
• Molecular Mass: 320.1851192
• Monoisotopic Mass: 320.04832812
• SMILES: O=C(OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)C=C
• Canonical SMILES: C=CC(=O)OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H10F6O4/c1-3-7(18)20-5-9(12,13)11(16,17)10(14,15)6-21-8(19)4-2/h3-4H,1-2,5-6H2
• InChIKey: DOZNAYNLYNBXKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4-hexafluoro-5-(prop-2-enoyloxy)pentyl prop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4-hexafluoro-5-(prop-2-enoyloxy)pentyl prop-2-enoate
• Synonyms: 2,2,3,3,4,4-Hexafluoro-1,5-pentyl diacrylate; 2,2,3,3,4,4-Hexafluoropentane-1,5-diyl bis(prop-2-enoate); 1H,1H,5H,5H-Perfluoropentane-1,5-diyl diacrylate 97%

Database IDs

• CAS Number: 678-95-5
• MDL Number: MFCD02093323
• PubChem SID: 160969843
• PubChem CID: 2779230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7547526
• LogD (pH = 7.4): 3.7547526
• Log P: 3.7547526
• Molar Refractivity: 56.156 cm^3
• Polarizability: 21.465136 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105/0.1°C

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95%

DETAILS

Apollo Scientific Ltd - PC3811

Inhibited