1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine

C12H17F8NO — CID 59204081

IUPAC1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCCCC1
InChIInChI=1S/C12H17F8NO/c13-9(14)11(17,18)12(19,20)10(15,16)8-22-7-6-21-4-2-1-3-5-21/h9H,1-8H2
InChIKeyOZLQWMCCMYBNKL-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.66
Rot. Bonds8

About 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine

1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine (PubChem CID 59204081) has the molecular formula C12H17F8NO and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine
PubChem CID59204081
Molecular FormulaC12H17F8NO
Molecular Weight343.26 g/mol
Exact Mass343.12
IUPAC Name1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCCCC1
InChIInChI=1S/C12H17F8NO/c13-9(14)11(17,18)12(19,20)10(15,16)8-22-7-6-21-4-2-1-3-5-21/h9H,1-8H2
InChIKeyOZLQWMCCMYBNKL-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine (CID 59204081) is 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine is FC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCCCC1.
What is the InChIKey of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
The InChIKey is OZLQWMCCMYBNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F8NO/c13-9(14)11(17,18)12(19,20)10(15,16)8-22-7-6-21-4-2-1-3-5-21/h9H,1-8H2.
What are the key properties of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine has a molecular weight of 343.26 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine is sourced from PubChem (CID 59204081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).