1-(6-fluoropyridin-2-yl)azepane

• ChemBase ID: 240379
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: n1c(N2CCCCCC2)cccc1F
• Canonical SMILES: Fc1cccc(n1)N1CCCCCC1
• InChI: InChI=1S/C11H15FN2/c12-10-6-5-7-11(13-10)14-8-3-1-2-4-9-14/h5-7H,1-4,8-9H2
• InChIKey: PTTWQSYANDYBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-fluoropyridin-2-yl)azepane
• IUPAC Traditional name: 1-(6-fluoropyridin-2-yl)azepane
• Synonyms: 1-(6-fluoropyridin-2-yl)azepane

Database IDs

• MDL Number: MFCD14600147
• PubChem SID: 164296289
• PubChem CID: 61228005

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.289638
• LogD (pH = 7.4): 3.289642
• Log P: 3.289642
• Molar Refractivity: 56.6173 cm^3
• Polarizability: 20.54772 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.819

Product Information

• Purity: 95%