6-fluoro-2-phenyl-1H-indole

• ChemBase ID: 289019
• Molecular Formular: C14H10FN
• Molecular Mass: 211.2343032
• Monoisotopic Mass: 211.07972755
• SMILES: Fc1cc2c(cc1)cc(c1ccccc1)[nH]2
• Canonical SMILES: Fc1ccc2c(c1)[nH]c(c2)c1ccccc1
• InChI: InChI=1S/C14H10FN/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,16H
• InChIKey: CIZSAUXURXLDMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-phenyl-1H-indole
• IUPAC Traditional name: 6-fluoro-2-phenyl-1H-indole
• Synonyms: 6-Fluoro-2-phenyl-1H-indole

Database IDs

• CAS Number: 255724-72-2
• MDL Number: MFCD11110516
• PubChem SID: 180674550
• PubChem CID: 10680001

CALCULATED PROPERTIES

• Acid pKa: 14.686795
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.7819362
• LogD (pH = 7.4): 3.7819362
• Log P: 3.7819362
• Molar Refractivity: 62.3746 cm^3
• Polarizability: 26.236225 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%