2,5-dioxopyrrolidin-1-yl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate

• ChemBase ID: 140560
• Molecular Formular: C15H8F17NO4
• Molecular Mass: 589.2011744
• Monoisotopic Mass: 589.01818748
• SMILES: C1CC(=O)N(C1=O)OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C15H8F17NO4/c16-8(17,4-3-7(36)37-33-5(34)1-2-6(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H2
• InChIKey: PFSIGNUPTCQGSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
• Synonyms: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluor-undecansäure-N-succinimidylester; N-Succinimidyl 2H,2H,3H,3H-perfluoroundecanoate; N-Succinimidyl 3-(perfluorooctyl)propionate; N-Succinimidyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate; N-琥珀酰亚胺基 2H,2H,3H,3H-全氟十一酸酯; N-琥珀酰亚胺基 3-(全氟辛基)丙酸酯; N-琥珀酰亚胺基 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一酸酯

Database IDs

• CAS Number: 852527-45-8
• MDL Number: MFCD09265206
• PubChem SID: 24886467; 162234804
• PubChem CID: 11261812

CALCULATED PROPERTIES

• Acid pKa: 17.706703
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1756616
• LogD (pH = 7.4): 5.1756616
• Log P: 5.1756616
• Molar Refractivity: 76.2983 cm^3
• Polarizability: 29.597832 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 140-146 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥95%
• Empirical Formula (Hill Notation): C15H8F17NO4

DETAILS

Sigma Aldrich - 73028

Packaging
5, 25 mg in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.