4-fluoro-N,N-dimethyl-3-(trimethylsilyl)aniline

• ChemBase ID: 93126
• Molecular Formular: C11H18FNSi
• Molecular Mass: 211.3512232
• Monoisotopic Mass: 211.11925433
• SMILES: Fc1c(cc(cc1)N(C)C)[Si](C)(C)C
• Canonical SMILES: CN(c1ccc(c(c1)[Si](C)(C)C)F)C
• InChI: InChI=1S/C11H18FNSi/c1-13(2)9-6-7-10(12)11(8-9)14(3,4)5/h6-8H,1-5H3
• InChIKey: KHIOGPGSKVQSOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N,N-dimethyl-3-(trimethylsilyl)aniline
• IUPAC Traditional name: 4-fluoro-N,N-dimethyl-3-(trimethylsilyl)aniline
• Synonyms: 1-(N,N-Dimethylamino)-4-fluoro-3-(trifluoromethylsilyl)benzene

Database IDs

• MDL Number: MFCD01861996
• PubChem SID: 162079811
• PubChem CID: 2774274

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.027996
• LogD (pH = 7.4): 4.03501
• Log P: 4.0351
• Molar Refractivity: 56.7666 cm^3
• Polarizability: 23.2567 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant