2-[2-(trifluoromethyl)phenyl]piperidine

• ChemBase ID: 268963
• Molecular Formular: C12H14F3N
• Molecular Mass: 229.2414696
• Monoisotopic Mass: 229.10783411
• SMILES: C(c1c(C2NCCCC2)cccc1)(F)(F)F
• Canonical SMILES: FC(c1ccccc1C1CCCCN1)(F)F
• InChI: InChI=1S/C12H14F3N/c13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11/h1-2,5-6,11,16H,3-4,7-8H2
• InChIKey: VCFXQOYIVFTLFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(trifluoromethyl)phenyl]piperidine
• IUPAC Traditional name: 2-[2-(trifluoromethyl)phenyl]piperidine
• Synonyms: 2-[2-(trifluoromethyl)phenyl]piperidine

Database IDs

• MDL Number: MFCD05190074
• PubChem SID: 164324873
• PubChem CID: 3384467

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1482804
• LogD (pH = 7.4): 1.251843
• Log P: 3.3195763
• Molar Refractivity: 57.0919 cm^3
• Polarizability: 21.339186 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.376

Product Information

• Purity: 95%