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

C6F13N — CID 2776242

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12
InChIKeyKCOKATNPCXDTEB-UHFFFAOYSA-N
MW333.05 g/mol
LogP3.91
Rot. Bonds

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

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine (PubChem CID 2776242) has the molecular formula C6F13N and a molecular weight of 333.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
PubChem CID2776242
Molecular FormulaC6F13N
Molecular Weight333.05 g/mol
Exact Mass332.98
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12
InChIKeyKCOKATNPCXDTEB-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine (CID 2776242) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine is FC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine?
The InChIKey is KCOKATNPCXDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine has a molecular weight of 333.05 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine is sourced from PubChem (CID 2776242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).