3-(difluoromethoxy)piperidine

• ChemBase ID: 263404
• Molecular Formular: C6H11F2NO
• Molecular Mass: 151.1544464
• Monoisotopic Mass: 151.08087042
• SMILES: C(OC1CNCCC1)(F)F
• Canonical SMILES: FC(OC1CCCNC1)F
• InChI: InChI=1S/C6H11F2NO/c7-6(8)10-5-2-1-3-9-4-5/h5-6,9H,1-4H2
• InChIKey: RFLBTFBEDGNWFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethoxy)piperidine
• IUPAC Traditional name: 3-(difluoromethoxy)piperidine
• Synonyms: 3-(difluoromethoxy)piperidine

Database IDs

• PubChem SID: 164319314
• PubChem CID: 47003318

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.036887
• LogD (pH = 7.4): -1.041033
• Log P: 1.1524688
• Molar Refractivity: 32.957 cm^3
• Polarizability: 12.868737 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.696

Product Information

• Purity: 95%