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

C11F23N — CID 14292003

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine
SMILESFC(F)(F)C(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/C11F23N/c12-1(13,4(18,19)8(26,27)28)2(14,15)5(20,21)9(29,30)35-10(31,32)6(22,23)3(16,17)7(24,25)11(35,33)34
InChIKeyGRVJYLQOWJWEFK-UHFFFAOYSA-N
MW583.08 g/mol
LogP7.09
Rot. Bonds5

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

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine (PubChem CID 14292003) has the molecular formula C11F23N and a molecular weight of 583.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine
PubChem CID14292003
Molecular FormulaC11F23N
Molecular Weight583.08 g/mol
Exact Mass582.97
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine
SMILESFC(F)(F)C(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/C11F23N/c12-1(13,4(18,19)8(26,27)28)2(14,15)5(20,21)9(29,30)35-10(31,32)6(22,23)3(16,17)7(24,25)11(35,33)34
InChIKeyGRVJYLQOWJWEFK-UHFFFAOYSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.08
LogP ≤ 57.09
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-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine (CID 14292003) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine is FC(F)(F)C(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-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine?
The InChIKey is GRVJYLQOWJWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F23N/c12-1(13,4(18,19)8(26,27)28)2(14,15)5(20,21)9(29,30)35-10(31,32)6(22,23)3(16,17)7(24,25)11(35,33)34.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine has a molecular weight of 583.08 g/mol, XLogP of 7.09, 5 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-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine is sourced from PubChem (CID 14292003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).