3-(4-fluorophenyl)-1H-indole

• ChemBase ID: 801025
• Molecular Formular: C14H10FN
• Molecular Mass: 211.2343032
• Monoisotopic Mass: 211.07972755
• SMILES: c1c(c2ccccc2[nH]1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C14H10FN/c15-11-7-5-10(6-8-11)13-9-16-14-4-2-1-3-12(13)14/h1-9,16H
• InChIKey: JFVIPMRWCFOHBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)-1H-indole
• IUPAC Traditional name: 3-(4-fluorophenyl)-1H-indole
• Synonyms: 3-(4-Fluoro-phenyl)-1H-indole

Database IDs

• CAS Number: 101125-32-0

CALCULATED PROPERTIES

• Acid pKa: 16.118586
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.8619351
• LogD (pH = 7.4): 3.8619351
• Log P: 3.8619351
• Molar Refractivity: 62.4971 cm^3
• Polarizability: 26.243849 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%