(2S)-2-(trifluoromethyl)piperidine

• ChemBase ID: 51063
• Molecular Formular: C6H10F3N
• Molecular Mass: 153.1455096
• Monoisotopic Mass: 153.07653399
• SMILES: N1[C@@H](CCCC1)C(F)(F)F
• Canonical SMILES: FC([C@@H]1CCCCN1)(F)F
• InChI: InChI=1S/C6H10F3N/c7-6(8,9)5-3-1-2-4-10-5/h5,10H,1-4H2/t5-/m0/s1
• InChIKey: NAXDEFXCCITWEU-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(trifluoromethyl)piperidine
• IUPAC Traditional name: (2S)-2-(trifluoromethyl)piperidine
• Synonyms: (S)-2-(Trifluoromethyl)piperidine

Database IDs

• CAS Number: 154727-51-2
• MDL Number: MFCD11226597
• PubChem SID: 162055826
• PubChem CID: 42580051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4361902
• LogD (pH = 7.4): 1.668417
• Log P: 1.672351
• Molar Refractivity: 31.9557 cm^3
• Polarizability: 11.997586 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: 97%