5-(2-fluoroethoxy)-1H-indole

• ChemBase ID: 238196
• Molecular Formular: C10H10FNO
• Molecular Mass: 179.1909032
• Monoisotopic Mass: 179.07464217
• SMILES: c12c([nH]cc1)ccc(c2)OCCF
• Canonical SMILES: FCCOc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C10H10FNO/c11-4-6-13-9-1-2-10-8(7-9)3-5-12-10/h1-3,5,7,12H,4,6H2
• InChIKey: VRTAUTLAOMSHHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluoroethoxy)-1H-indole
• IUPAC Traditional name: 5-(2-fluoroethoxy)-1H-indole
• Synonyms: 5-(2-fluoroethoxy)-1H-indole

Database IDs

• MDL Number: MFCD20687945
• PubChem SID: 164294106
• PubChem CID: 71756118

CALCULATED PROPERTIES

• Acid pKa: 16.75333
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1153264
• LogD (pH = 7.4): 2.1153264
• Log P: 2.1153264
• Molar Refractivity: 48.2079 cm^3
• Polarizability: 19.561703 Å^3
• Polar Surface Area: 25.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.405

Product Information

• Purity: 95%