(5-fluorothiophen-2-yl)methanol

• ChemBase ID: 289555
• Molecular Formular: C5H5FOS
• Molecular Mass: 132.1560032
• Monoisotopic Mass: 132.004514
• SMILES: OCc1ccc(F)s1
• Canonical SMILES: OCc1ccc(s1)F
• InChI: InChI=1S/C5H5FOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
• InChIKey: ANQLQOQLYYSYQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluorothiophen-2-yl)methanol
• IUPAC Traditional name: (5-fluorothiophen-2-yl)methanol
• Synonyms: (5-Fluorothiophen-2-yl)methanol

Database IDs

• CAS Number: 824983-56-4
• MDL Number: MFCD15976395
• PubChem SID: 180675086
• PubChem CID: 50896580

CALCULATED PROPERTIES

• Acid pKa: 14.1009035
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4274753
• LogD (pH = 7.4): 1.4274752
• Log P: 1.4274753
• Molar Refractivity: 29.1401 cm^3
• Polarizability: 11.255278 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%