3-fluoroazepane hydrochloride

• ChemBase ID: 247667
• Molecular Formular: C6H13ClFN
• Molecular Mass: 153.6255232
• Monoisotopic Mass: 153.07205532
• SMILES: N1CC(F)CCCC1.Cl
• Canonical SMILES: FC1CCCCNC1.Cl
• InChI: InChI=1S/C6H12FN.ClH/c7-6-3-1-2-4-8-5-6;/h6,8H,1-5H2;1H
• InChIKey: BXZOIGGEBUEIIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoroazepane hydrochloride
• IUPAC Traditional name: 3-fluoroazepane hydrochloride
• Synonyms: 3-fluoroazepane hydrochloride

Database IDs

• PubChem SID: 164303577
• PubChem CID: 71758276

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1589544
• LogD (pH = 7.4): -0.75652295
• Log P: 0.9182445
• Molar Refractivity: 31.1058 cm^3
• Polarizability: 12.27355 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.337

Product Information

• Purity: 95%