6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl prop-2-enoate

• ChemBase ID: 99545
• Molecular Formular: C14H13F13O2
• Molecular Mass: 460.2310616
• Monoisotopic Mass: 460.07079652
• SMILES: FC(C(C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(CCCCCOC(=O)C=C)F
• Canonical SMILES: C=CC(=O)OCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H13F13O2/c1-2-8(28)29-7-5-3-4-6-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2H,1,3-7H2
• InChIKey: WTZIOPYUTZFTHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl prop-2-enoate
• IUPAC Traditional name: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl prop-2-enoate
• Synonyms: 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecyl acrylate; 1H,1H,2H,2H,3H,3H,4H,4H,5H,5H-Perfluoroundecyl acrylate

Database IDs

• MDL Number: MFCD09749660
• PubChem SID: 162085808
• PubChem CID: 44717649

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.608243
• LogD (pH = 7.4): 6.608243
• Log P: 6.608243
• Molar Refractivity: 69.673 cm^3
• Polarizability: 26.114418 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false