2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine

C11H13F10N — CID 19783532

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine
SMILESCCCCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H13F10N/c1-2-3-4-5-6-22-10(18,19)8(14,15)7(12,13)9(16,17)11(22,20)21/h2-6H2,1H3
InChIKeyGDKDXYJHHWLMFY-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.97
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine (PubChem CID 19783532) has the molecular formula C11H13F10N and a molecular weight of 349.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine
PubChem CID19783532
Molecular FormulaC11H13F10N
Molecular Weight349.21 g/mol
Exact Mass349.09
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine
SMILESCCCCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H13F10N/c1-2-3-4-5-6-22-10(18,19)8(14,15)7(12,13)9(16,17)11(22,20)21/h2-6H2,1H3
InChIKeyGDKDXYJHHWLMFY-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexylpiperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine (CID 19783532) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine is CCCCCCN1C(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-hexylpiperidine?
The InChIKey is GDKDXYJHHWLMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F10N/c1-2-3-4-5-6-22-10(18,19)8(14,15)7(12,13)9(16,17)11(22,20)21/h2-6H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-hexylpiperidine has a molecular weight of 349.21 g/mol, XLogP of 4.97, 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-hexylpiperidine is sourced from PubChem (CID 19783532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).