11-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane

• ChemBase ID: 140561
• Molecular Formular: C11H6F17N3
• Molecular Mass: 503.1582944
• Monoisotopic Mass: 503.02902695
• SMILES: C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCCCC(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/C11H6F17N3/c12-4(13,2-1-3-30-31-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3H2
• InChIKey: GYAWTXGPAGMMFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane
• IUPAC Traditional name: 11-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane
• Synonyms: 11-Azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane; 1H,1H,2H,2H,3H,3H-Perfluoroundecyl azide; 3-(Perfluorooctyl)propyl azide; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl azide; 11-叠氮基-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟十一烷; 1H,1H,2H,2H,3H,3H-全氟十一烷基叠氮化物; 3-(全氟辛基)丙基叠氮化物; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷基叠氮化物

Database IDs

• CAS Number: 852527-61-8
• MDL Number: MFCD09265211
• PubChem SID: 24890384; 162234805
• PubChem CID: 11386544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.395938
• LogD (pH = 7.4): 6.395938
• Log P: 6.5099835
• Molar Refractivity: 62.3003 cm^3
• Polarizability: 23.21749 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0%
• Empirical Formula (Hill Notation): C11H6F17N3

DETAILS

Sigma Aldrich - 97087

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.