1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 140563
• Molecular Formular: C15H8F17NO2
• Molecular Mass: 557.2023744
• Monoisotopic Mass: 557.02835824
• SMILES: C1=CC(=O)N(C1=O)CCCC(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=C1C=CC(=O)N1CCCC(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/C15H8F17NO2/c16-8(17,4-1-5-33-6(34)2-3-7(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-3H,1,4-5H2
• InChIKey: QGVHMBIQPGFCFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)pyrrole-2,5-dione
• Synonyms: 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-1H-pyrrole-2,5; 3-(Perfluorooctyl)propyl-1-maleimide; F17 Maleinimide; N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)maleimide; 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷基)-1H-吡咯-2,5; 3-(全氟辛基)丙基-1-马来酰亚胺; F17 顺丁烯二酰亚胺; N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷基)马来酰亚胺

Database IDs

• CAS Number: 852527-40-3
• MDL Number: MFCD09265195
• PubChem SID: 162234807; 24865604
• PubChem CID: 11157197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7959895
• LogD (pH = 7.4): 5.7959895
• Log P: 5.7959895
• Molar Refractivity: 75.9946 cm^3
• Polarizability: 28.200169 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 101-105 °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: 2-8°C

Product Information

• Purity: ≥95%
• Empirical Formula (Hill Notation): C15H8F17NO2

DETAILS

Sigma Aldrich - 40889

Packaging
5, 25 mg in glass 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.