2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine

• ChemBase ID: 98796
• Molecular Formular: C6F13N
• Molecular Mass: 333.0501416
• Monoisotopic Mass: 332.98231587
• SMILES: N1(C(F)(C(F)(C(C(C1(F)F)(F)F)(F)F)F)F)C(F)(F)F
• Canonical SMILES: FC(N1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12
• InChIKey: KCOKATNPCXDTEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
• Synonyms: Perfluoro(N-methylpiperidine) 99%

Database IDs

• CAS Number: 359-71-7
• MDL Number: MFCD00042443
• PubChem SID: 162085161
• PubChem CID: 2776242

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.405633
• LogD (pH = 7.4): 5.405633
• Log P: 5.405633
• Molar Refractivity: 29.7604 cm^3
• Polarizability: 13.050727 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant