{3-[(heptafluoropropan-2-yl)oxy]propyl}trimethoxysilane

• ChemBase ID: 169859
• Molecular Formular: C9H15F7O4Si
• Molecular Mass: 348.2873224
• Monoisotopic Mass: 348.06278303
• SMILES: [Si](CCCOC(C(F)(F)F)(C(F)(F)F)F)(OC)(OC)OC
• Canonical SMILES: CO[Si](CCCOC(C(F)(F)F)(C(F)(F)F)F)(OC)OC
• InChI: InChI=1S/C9H15F7O4Si/c1-17-21(18-2,19-3)6-4-5-20-7(10,8(11,12)13)9(14,15)16/h4-6H2,1-3H3
• InChIKey: TVBHYYFJOKDTPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(heptafluoropropan-2-yl)oxy]propyl}trimethoxysilane
• IUPAC Traditional name: {3-[(heptafluoropropan-2-yl)oxy]propyl}trimethoxysilane
• Synonyms: Trimethoxy[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane; Trimethoxy[3-[tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane; 3-(Heptafluoroisopropoxy)propyltrimethoxysilane

Database IDs

• CAS Number: 19116-61-1
• PubChem SID: 162263991
• PubChem CID: 4712695

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3138
• LogD (pH = 7.4): 3.3138
• Log P: 3.3138
• Molar Refractivity: 53.1555 cm^3
• Polarizability: 22.542831 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - H281075

3-(Heptafluoroisopropoxy)propyltrimethoxysilane is a fluoroalkoxyalkylsilane useful as water- and oil-repellent for cotton and wool fabrics.

REFERENCES

• Snyder, R., et al.: J. Phys. Chem., 86, 5145, (1982)
• Tsao, M., et al.: Langmuir, 13, 4317 (1982)
• Love, J., et al.: Chem. Rev., 105, 1103 (1982)