1-benzyl-4,4-difluoropiperidine

• ChemBase ID: 11746
• Molecular Formular: C12H15F2N
• Molecular Mass: 211.2510064
• Monoisotopic Mass: 211.11725593
• SMILES: N1(CCC(CC1)(F)F)Cc1ccccc1
• Canonical SMILES: FC1(F)CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C12H15F2N/c13-12(14)6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
• InChIKey: ZOHRARQBWMKEMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4,4-difluoropiperidine
• IUPAC Traditional name: 1-benzyl-4,4-difluoropiperidine
• Synonyms: 1-Benzyl-4,4-difluoropiperidine; 1-Benzyl-4,4-difluoropiperidine; 1-苄基-4,4-二氟哌啶

Database IDs

• CAS Number: 155137-18-1
• MDL Number: MFCD03840201
• PubChem SID: 160975053
• PubChem CID: 2782811

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.28938568
• LogD (pH = 7.4): 2.062316
• Log P: 2.9843667
• Molar Refractivity: 56.2033 cm^3
• Polarizability: 21.562445 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74-79°C/0.1mm
• Refractive Index: 1.4975

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%