2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl 2-methylprop-2-enoate

• ChemBase ID: 8124
• Molecular Formular: C14H7F19O2
• Molecular Mass: 568.1738408
• Monoisotopic Mass: 568.01426564
• SMILES: C(C(C(C(C(C(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: CC(=C)C(=O)OCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H7F19O2/c1-4(2)5(34)35-3-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)33/h1,3H2,2H3
• InChIKey: NSSMHXVPVQADLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl 2-methylprop-2-enoate
• Synonyms: 1H,1H-Perfluoro-n-decyl methacrylate 97%; 1H,1H-Perfluoro-n-decyl methacrylate

Database IDs

• CAS Number: 23069-32-1
• MDL Number: MFCD02183511
• PubChem SID: 160971431
• PubChem CID: 2769360

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.8679633
• LogD (pH = 7.4): 7.8679633
• Log P: 7.8679633
• Molar Refractivity: 69.2117 cm^3
• Polarizability: 26.80522 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 77°C/1mm
• Refractive Index: 1.3338

Safety Information

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

Product Information

• Purity: 97%