[1-(2-fluorophenyl)-1H-pyrrol-2-yl]methanol

• ChemBase ID: 112994
• Molecular Formular: C11H10FNO
• Molecular Mass: 191.2016032
• Monoisotopic Mass: 191.07464217
• SMILES: n1(c2c(F)cccc2)c(ccc1)CO
• Canonical SMILES: OCc1cccn1c1ccccc1F
• InChI: InChI=1S/C11H10FNO/c12-10-5-1-2-6-11(10)13-7-3-4-9(13)8-14/h1-7,14H,8H2
• InChIKey: SPJRIBCINFXUBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)-1H-pyrrol-2-yl]methanol
• IUPAC Traditional name: [1-(2-fluorophenyl)pyrrol-2-yl]methanol
• Synonyms: [1-(2-fluorophenyl)-1H-pyrrol-2-yl]methanol

Database IDs

• CAS Number: 132407-66-0
• PubChem SID: 162098361
• PubChem CID: 15449124

CALCULATED PROPERTIES

• Acid pKa: 14.700308
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6302
• LogD (pH = 7.4): 1.6302
• Log P: 1.6302
• Molar Refractivity: 62.7202 cm^3
• Polarizability: 20.41813 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37 - 40 °C

Product Information

• Purity: >97%