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

C10F21N — CID 14225132

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F21N/c11-1(12,3(15,16)7(23,24)25)4(17,18)8(26,27)32-9(28,29)5(19,20)2(13,14)6(21,22)10(32,30)31
InChIKeyGDCXYFJTTYCIKU-UHFFFAOYSA-N
MW533.08 g/mol
LogP6.45
Rot. Bonds4

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

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine (PubChem CID 14225132) has the molecular formula C10F21N and a molecular weight of 533.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine
PubChem CID14225132
Molecular FormulaC10F21N
Molecular Weight533.08 g/mol
Exact Mass532.97
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F21N/c11-1(12,3(15,16)7(23,24)25)4(17,18)8(26,27)32-9(28,29)5(19,20)2(13,14)6(21,22)10(32,30)31
InChIKeyGDCXYFJTTYCIKU-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.08
LogP ≤ 56.45
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-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine (CID 14225132) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine?
The InChIKey is GDCXYFJTTYCIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F21N/c11-1(12,3(15,16)7(23,24)25)4(17,18)8(26,27)32-9(28,29)5(19,20)2(13,14)6(21,22)10(32,30)31.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine has a molecular weight of 533.08 g/mol, XLogP of 6.45, 4 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-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)piperidine is sourced from PubChem (CID 14225132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).