(4-chloro-2-fluorophenyl)trimethylsilane

• ChemBase ID: 96927
• Molecular Formular: C9H12ClFSi
• Molecular Mass: 202.7284832
• Monoisotopic Mass: 202.03808282
• SMILES: [Si](c1c(cc(cc1)Cl)F)(C)(C)C
• Canonical SMILES: Clc1ccc(c(c1)F)[Si](C)(C)C
• InChI: InChI=1S/C9H12ClFSi/c1-12(2,3)9-5-4-7(10)6-8(9)11/h4-6H,1-3H3
• InChIKey: TYARRMRNBUMCJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-2-fluorophenyl)trimethylsilane
• IUPAC Traditional name: (4-chloro-2-fluorophenyl)trimethylsilane
• Synonyms: 5-Chloro-2-(trimethylsilyl)fluorobenzene; Trimethyl(4-chloro-2-fluorophenyl)silane 96%

Database IDs

• CAS Number: 153357-87-0
• MDL Number: MFCD09039082
• PubChem SID: 162083571
• PubChem CID: 13406492

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2887
• LogD (pH = 7.4): 4.2887
• Log P: 4.2887
• Molar Refractivity: 47.1428 cm^3
• Polarizability: 20.32831 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true