6-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-2-fluoro-3-(prop-2-en-1-yl)pyridine

• ChemBase ID: 51552
• Molecular Formular: C19H31FN2OSi
• Molecular Mass: 350.5461432
• Monoisotopic Mass: 350.21896837
• SMILES: c1(c(nc(cc1)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)F)CC=C
• Canonical SMILES: C=CCc1ccc(nc1F)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C19H31FN2OSi/c1-7-8-16-9-10-17(21-18(16)20)22-12-11-15(13-22)14-23-24(5,6)19(2,3)4/h7,9-10,15H,1,8,11-14H2,2-6H3
• InChIKey: GHHPFVLQPIAZFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-2-fluoro-3-(prop-2-en-1-yl)pyridine
• IUPAC Traditional name: 6-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-2-fluoro-3-(prop-2-en-1-yl)pyridine
• Synonyms: 3-Allyl-6-(3-((tert-butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-2-fluoropyridine; 3-Allyl-6-(3-((tert-butyldimethylsilyloxy)-methyl)pyrrolidin-1-yl)-2-fluoropyridine; 3-Allyl-6-(3-((tert-butyldimethylsilyloxy)methyl)-pyrrolidin-1-yl)-2-fluoropyridine; 3-Allyl-6-(3-((tert-butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-2-fluoropyridine

Database IDs

• MDL Number: MFCD15530250
• PubChem SID: 162056315
• PubChem CID: 46318067

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.5286975
• LogD (pH = 7.4): 5.5287
• Log P: 5.5287
• Molar Refractivity: 97.8522 cm^3
• Polarizability: 38.653572 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C19H31FN2OSi

DETAILS

Sigma Aldrich - ADE000091

Other Notes
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