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

C12H17F8NO — CID 138687368

IUPAC1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine
SMILESCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N1CCCCC1
InChIInChI=1S/C12H17F8NO/c1-8(21-5-3-2-4-6-21)22-7-10(15,16)12(19,20)11(17,18)9(13)14/h8-9H,2-7H2,1H3
InChIKeyQOALMCSDFKOYTR-UHFFFAOYSA-N
MW343.26 g/mol
LogP4.01
Rot. Bonds7

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

1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine (PubChem CID 138687368) has the molecular formula C12H17F8NO and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine
PubChem CID138687368
Molecular FormulaC12H17F8NO
Molecular Weight343.26 g/mol
Exact Mass343.12
IUPAC Name1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine
SMILESCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N1CCCCC1
InChIInChI=1S/C12H17F8NO/c1-8(21-5-3-2-4-6-21)22-7-10(15,16)12(19,20)11(17,18)9(13)14/h8-9H,2-7H2,1H3
InChIKeyQOALMCSDFKOYTR-UHFFFAOYSA-N
XLogP4.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
The IUPAC name of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine (CID 138687368) is 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine.
What is the SMILES notation for 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
The canonical SMILES for 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine is CC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N1CCCCC1.
What is the InChIKey of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
The InChIKey is QOALMCSDFKOYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F8NO/c1-8(21-5-3-2-4-6-21)22-7-10(15,16)12(19,20)11(17,18)9(13)14/h8-9H,2-7H2,1H3.
What are the key properties of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine?
1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine has a molecular weight of 343.26 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidine is sourced from PubChem (CID 138687368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).