2,2,3,3-tetrafluoro-4-[(2-methylprop-2-enoyl)oxy]butyl 2-methylprop-2-enoate

• ChemBase ID: 93161
• Molecular Formular: C12H14F4O4
• Molecular Mass: 298.2307728
• Monoisotopic Mass: 298.08282181
• SMILES: O(C(=O)C(=C)C)CC(F)(F)C(F)(F)COC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCC(C(COC(=O)C(=C)C)(F)F)(F)F
• InChI: InChI=1S/C12H14F4O4/c1-7(2)9(17)19-5-11(13,14)12(15,16)6-20-10(18)8(3)4/h1,3,5-6H2,2,4H3
• InChIKey: LYRDRWXENYEQNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoro-4-[(2-methylprop-2-enoyl)oxy]butyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3-tetrafluoro-4-[(2-methylprop-2-enoyl)oxy]butyl 2-methylprop-2-enoate
• Synonyms: 2,2,3,3-Tetrafluorobutane-1,4-dimethacrylate

Database IDs

• MDL Number: MFCD00080742
• PubChem SID: 162079846
• PubChem CID: 2776615

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8452108
• LogD (pH = 7.4): 3.8452108
• Log P: 3.8452108
• Molar Refractivity: 60.2022 cm^3
• Polarizability: 23.277029 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold