(undecafluorocyclohexyl)methyl 2-methylprop-2-enoate

• ChemBase ID: 93052
• Molecular Formular: C11H7F11O2
• Molecular Mass: 380.1545152
• Monoisotopic Mass: 380.02703988
• SMILES: FC1(C(C(F)(F)C(C(C1(COC(=O)C(=C)C)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: O=C(C(=C)C)OCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H7F11O2/c1-4(2)5(23)24-3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1,3H2,2H3
• InChIKey: DZZAHYHMWKNGLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (undecafluorocyclohexyl)methyl 2-methylprop-2-enoate
• IUPAC Traditional name: (undecafluorocyclohexyl)methyl 2-methylprop-2-enoate
• Synonyms: (Perfluorocyclohexyl)methyl methacrylate

Database IDs

• MDL Number: MFCD00080615
• PubChem SID: 162079750
• PubChem CID: 2776050

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8239393
• LogD (pH = 7.4): 4.8239393
• Log P: 4.8239393
• Molar Refractivity: 51.9486 cm^3
• Polarizability: 20.2879 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold