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

• ChemBase ID: 8123
• Molecular Formular: C13H5F19O2
• Molecular Mass: 554.1472608
• Monoisotopic Mass: 553.99861558
• SMILES: C(C(C(C(C(C(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: C=CC(=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/C13H5F19O2/c1-2-4(33)34-3-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)32/h2H,1,3H2
• InChIKey: QPVJROJBHCURKR-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 prop-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 prop-2-enoate
• Synonyms: 1H,1H-Perfluoro-n-decyl acrylate 97%; 1H,1H-Perfluoro-n-decyl acrylate

Database IDs

• CAS Number: 335-83-1
• MDL Number: MFCD02183510
• PubChem SID: 160971430
• PubChem CID: 2760316

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.4724126
• LogD (pH = 7.4): 7.4724126
• Log P: 7.4724126
• Molar Refractivity: 64.8546 cm^3
• Polarizability: 25.196177 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 66°C/0.35mm
• Refractive Index: 1.3266

Safety Information

• Storage Warning: Lachrymatory
• TSCA Listed: false

Product Information

• Purity: 98%