trimethoxy(pentafluorophenyl)silane

• ChemBase ID: 93633
• Molecular Formular: C9H9F5O3Si
• Molecular Mass: 288.243476
• Monoisotopic Mass: 288.02411178
• SMILES: [Si](c1c(c(c(c(c1F)F)F)F)F)(OC)(OC)OC
• Canonical SMILES: CO[Si](c1c(F)c(F)c(c(c1F)F)F)(OC)OC
• InChI: InChI=1S/C9H9F5O3Si/c1-15-18(16-2,17-3)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3
• InChIKey: XFFHTZIRHGKTBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(pentafluorophenyl)silane
• IUPAC Traditional name: trimethoxy(pentafluorophenyl)silane
• Synonyms: Trimethoxy(pentafluorophenyl)silane

Database IDs

• CAS Number: 223668-64-2
• MDL Number: MFCD04039205
• PubChem SID: 162080318
• PubChem CID: 2782640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9198
• LogD (pH = 7.4): 2.9198
• Log P: 2.9198
• Molar Refractivity: 47.697 cm^3
• Polarizability: 20.101038 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant