[dimethyl(pentafluorophenyl)silyl]diethylamine

• ChemBase ID: 9700
• Molecular Formular: C12H16F5NSi
• Molecular Mass: 297.339656
• Monoisotopic Mass: 297.09721715
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[Si](N(CC)CC)(C)C
• Canonical SMILES: CCN([Si](c1c(F)c(F)c(c(c1F)F)F)(C)C)CC
• InChI: InChI=1S/C12H16F5NSi/c1-5-18(6-2)19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H2,1-4H3
• InChIKey: ZBVPABKIRWOTNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [dimethyl(pentafluorophenyl)silyl]diethylamine
• IUPAC Traditional name: [dimethyl(pentafluorophenyl)silyl]diethylamine
• Synonyms: Pentafluorophenyldimethylsilyldiethylamine

Database IDs

• CAS Number: 55485-74-0
• MDL Number: MFCD00013548
• PubChem SID: 160973007
• PubChem CID: 2769343

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.3762616
• LogD (pH = 7.4): 0.38600186
• Log P: 2.8701
• Molar Refractivity: 61.5071 cm^3
• Polarizability: 24.540943 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false