[6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

• ChemBase ID: 258277
• Molecular Formular: C8H7F3N2O2S
• Molecular Mass: 252.2135896
• Monoisotopic Mass: 252.01803313
• SMILES: n1c2n(c(c1OCC(F)(F)F)CO)ccs2
• Canonical SMILES: OCc1c(OCC(F)(F)F)nc2n1ccs2
• InChI: InChI=1S/C8H7F3N2O2S/c9-8(10,11)4-15-6-5(3-14)13-1-2-16-7(13)12-6/h1-2,14H,3-4H2
• InChIKey: LZUGNEAFWOKVAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
• IUPAC Traditional name: [6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
• Synonyms: [6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol

Database IDs

• MDL Number: MFCD09053072
• PubChem SID: 164314187
• PubChem CID: 16780565

CALCULATED PROPERTIES

• Acid pKa: 14.049994
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1938952
• LogD (pH = 7.4): 1.1938999
• Log P: 1.1939
• Molar Refractivity: 62.4326 cm^3
• Polarizability: 18.54758 Å^3
• Polar Surface Area: 46.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): 1.856

Product Information

• Purity: 95%