undecafluoropiperidine

• ChemBase ID: 97144
• Molecular Formular: C5F11N
• Molecular Mass: 283.0426352
• Monoisotopic Mass: 282.98550943
• SMILES: N1(C(F)(F)C(C(C(C1(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FN1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F11N/c6-1(7)2(8,9)4(12,13)17(16)5(14,15)3(1,10)11
• InChIKey: VCEAGMYKGZNUFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecafluoropiperidine
• IUPAC Traditional name: undecafluoropiperidine
• Synonyms: N-Fluoroperfluoropiperidine 98%

Database IDs

• CAS Number: 836-77-1
• MDL Number: MFCD00077545
• PubChem SID: 162083757
• PubChem CID: 136658

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5297613
• LogD (pH = 7.4): 3.5297613
• Log P: 3.5297613
• Molar Refractivity: 28.5599 cm^3
• Polarizability: 11.128529 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC4058

Electrophilic fluorinating agent