dimethoxy(methyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

• ChemBase ID: 98815
• Molecular Formular: C11H13F13O2Si
• Molecular Mass: 452.2844616
• Monoisotopic Mass: 452.04772305
• SMILES: FC(F)(C(F)(F)C(CC[Si](OC)(OC)C)(F)F)C(C(F)(F)C(F)(F)F)(F)F
• Canonical SMILES: CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)C
• InChI: InChI=1S/C11H13F13O2Si/c1-25-27(3,26-2)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
• InChIKey: UWZZATWXHUNWJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxy(methyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: dimethoxy(methyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: 1H,1H,2H,2H-Perfluorooctylmethyldimethoxysilane 97%

Database IDs

• CAS Number: 85857-17-6
• MDL Number: MFCD00153260
• PubChem SID: 162085179
• PubChem CID: 2776323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.758
• LogD (pH = 7.4): 5.758
• Log P: 5.758
• Molar Refractivity: 59.1441 cm^3
• Polarizability: 24.681953 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 80°C/9mm
• Density: 1.434
• Refractive Index: 1.336

Safety Information

• Storage Warning: Corrosive

DETAILS

Apollo Scientific Ltd - PC6173E

Reagent for fluoroalkyl coating of inorganic(hydroxylic) surfaces