4-azido-2,3,5,6-tetrafluoro-N-[3-(trimethoxysilyl)propyl]benzamide

• ChemBase ID: 179193
• Molecular Formular: C13H16F4N4O4Si
• Molecular Mass: 396.3696528
• Monoisotopic Mass: 396.08769442
• SMILES: c1(c(c(c(c(c1F)C(=O)NCCC[Si](OC)(OC)OC)F)F)N=[N+]=[N-])F
• Canonical SMILES: CO[Si](CCCNC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])(OC)OC
• InChI: InChI=1S/C13H16F4N4O4Si/c1-23-26(24-2,25-3)6-4-5-19-13(22)7-8(14)10(16)12(20-21-18)11(17)9(7)15/h4-6H2,1-3H3,(H,19,22)
• InChIKey: JIGFFKNEEYQLBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azido-2,3,5,6-tetrafluoro-N-[3-(trimethoxysilyl)propyl]benzamide
• IUPAC Traditional name: 4-azido-2,3,5,6-tetrafluoro-N-[3-(trimethoxysilyl)propyl]benzamide
• Synonyms: 4-Azido-2,3,5,6-tetrafluoro-N-[3-(trimethoxysilyl)propyl]benzamide; PFPA-silane; N-(3-Trimethoxysilylpropyl)-4-azido-2,3,5,6-tetrafluorobenzamide 90%

Database IDs

• CAS Number: 298225-03-3
• PubChem SID: 164235103
• PubChem CID: 57389336

CALCULATED PROPERTIES

• Acid pKa: 10.577603
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1955967
• LogD (pH = 7.4): 2.1953323
• Log P: 2.2557
• Molar Refractivity: 80.6725 cm^3
• Polarizability: 30.915369 Å^3
• Polar Surface Area: 86.22 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Off-White Solid

Safety Information

• Storage Condition: Amber Vial, -86?C Freezer, Under Inert Atmosphere
• Storage Warning: Light and Temperature sensitive

DETAILS

Toronto Research Chemicals - T795755

Functionalized perfluorophenyl azides for covalent immobilization of ultrathin polymer films.

REFERENCES

• Mosbach, K., et al.: Biotechnology, 14, 163 (1996)
• Keren, K., et al.: Science, 297, 72 (1996)
• Lidstrom, M., et al.: Nature Rev. Microbiol., 1, 158 (1996)