2-(4-fluorophenyl)-5-(trimethylsilyl)-1,3,4-oxadiazole

• ChemBase ID: 256911
• Molecular Formular: C11H13FN2OSi
• Molecular Mass: 236.3176232
• Monoisotopic Mass: 236.0781178
• SMILES: o1c(nnc1c1ccc(cc1)F)[Si](C)(C)C
• Canonical SMILES: Fc1ccc(cc1)c1nnc(o1)[Si](C)(C)C
• InChI: InChI=1S/C11H13FN2OSi/c1-16(2,3)11-14-13-10(15-11)8-4-6-9(12)7-5-8/h4-7H,1-3H3
• InChIKey: FORWOPYDWOUWEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-5-(trimethylsilyl)-1,3,4-oxadiazole
• IUPAC Traditional name: 2-(4-fluorophenyl)-5-(trimethylsilyl)-1,3,4-oxadiazole
• Synonyms: 2-(4-fluorophenyl)-5-(trimethylsilyl)-1,3,4-oxadiazole

Database IDs

• MDL Number: MFCD06660928
• PubChem SID: 164312821
• PubChem CID: 16767600

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4397
• LogD (pH = 7.4): 3.4397
• Log P: 3.4397
• Molar Refractivity: 67.8385 cm^3
• Polarizability: 23.851044 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.293

Product Information

• Purity: 95%