3-(fluoromethyl)piperidine hydrochloride

• ChemBase ID: 63682
• Molecular Formular: C6H13ClFN
• Molecular Mass: 153.6255232
• Monoisotopic Mass: 153.07205532
• SMILES: Cl.C1C(CF)CNCC1
• Canonical SMILES: FCC1CCCNC1.Cl
• InChI: InChI=1S/C6H12FN.ClH/c7-4-6-2-1-3-8-5-6;/h6,8H,1-5H2;1H
• InChIKey: ONWFBAHZLZNPGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(fluoromethyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(fluoromethyl)piperidine hydrochloride
• Synonyms: 3-(Fluoromethyl)piperidine hydrochloride

Database IDs

• CAS Number: 1241725-60-9
• MDL Number: MFCD17015069
• PubChem SID: 162029421
• PubChem CID: 49761297

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.705202
• LogD (pH = 7.4): -2.077292
• Log P: 0.51843035
• Molar Refractivity: 31.4448 cm^3
• Polarizability: 12.273125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%