4-(trifluoromethyl)piperidine

• ChemBase ID: 97872
• Molecular Formular: C6H10F3N
• Molecular Mass: 153.1455096
• Monoisotopic Mass: 153.07653399
• SMILES: N1CCC(C(F)(F)F)CC1
• Canonical SMILES: FC(C1CCNCC1)(F)F
• InChI: InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2
• InChIKey: RDRQUUWCJTYHCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(trifluoromethyl)piperidine
• IUPAC Traditional name: 4-(trifluoromethyl)piperidine
• Synonyms: 4-(Trifluoromethyl)piperidine; 4-Trifluoromethylpiperidine

Database IDs

• CAS Number: 657-36-3
• MDL Number: MFCD00102068
• PubChem SID: 162084391
• PubChem CID: 136469

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0091267
• LogD (pH = 7.4): -1.5355216
• Log P: 1.221801
• Molar Refractivity: 32.2419 cm^3
• Polarizability: 11.997211 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162°C
• Hydrophobicity(logP): 0.863

Safety Information

• Storage Warning: Flammable/Harmful/Keep Cold

Product Information

• Purity: 95%; 95+%; 98%