dimethyl(pentafluorophenyl)silyl

• ChemBase ID: 94858
• Molecular Formular: C8H6F5Si
• Molecular Mass: 225.210756
• Monoisotopic Mass: 225.01589282
• SMILES: [Si](c1c(c(c(c(c1F)F)F)F)F)(C)C
• Canonical SMILES: Fc1c(F)c([Si](C)C)c(c(c1F)F)F
• InChI: InChI=1S/C8H6F5Si/c1-14(2)8-6(12)4(10)3(9)5(11)7(8)13/h1-2H3
• InChIKey: NLFJNDOVALKJDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(pentafluorophenyl)silyl
• IUPAC Traditional name: dimethyl(pentafluorophenyl)silyl
• Synonyms: (Dimethyl)(perfluorophenyl)silane; (Dimethyl)(pentafluorophenyl)silane; (Dimethylsilyl)perfluorobenzene

Database IDs

• CAS Number: 13888-77-2
• MDL Number: MFCD00010661
• PubChem SID: 162081512
• PubChem CID: 6365052

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8307
• LogD (pH = 7.4): 2.8307
• Log P: 2.8307
• Molar Refractivity: 37.6545 cm^3
• Polarizability: 15.590524 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 61-62°C/20mm
• Flash Point: 40°C
• Density: 1.295
• Refractive Index: 1.4326

Safety Information

• Storage Warning: Flammable/Moisture Sensitive/Store under Argon