tributyl(5-fluoro-2-methoxyphenyl)stannane

• ChemBase ID: 96617
• Molecular Formular: C19H33FOSn
• Molecular Mass: 415.1641232
• Monoisotopic Mass: 416.1537379
• SMILES: [Sn](c1cc(ccc1OC)F)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cc(F)ccc1OC)(CCCC)CCCC
• InChI: InChI=1S/C7H6FO.3C4H9.Sn/c1-9-7-4-2-6(8)3-5-7;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3
• InChIKey: JWQFPHFGBUQACW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(5-fluoro-2-methoxyphenyl)stannane
• IUPAC Traditional name: tributyl(5-fluoro-2-methoxyphenyl)stannane
• Synonyms: tributyl(5-fluoro-2-methoxyphenyl)stannane

Database IDs

• CAS Number: 223432-26-6
• MDL Number: MFCD01313818
• PubChem SID: 162083266
• PubChem CID: 2781806

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0177
• LogD (pH = 7.4): 5.0177
• Log P: 5.0177
• Molar Refractivity: 90.5696 cm^3
• Polarizability: 39.970455 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95%