1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine

C13H14F5NO — CID 566655

IUPAC1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine
SMILESFc1c(F)c(F)c(OCCN2CCCCC2)c(F)c1F
InChIInChI=1S/C13H14F5NO/c14-8-9(15)11(17)13(12(18)10(8)16)20-7-6-19-4-2-1-3-5-19/h1-7H2
InChIKeyWHMUQXAUAMXXSJ-UHFFFAOYSA-N
MW295.25 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine

1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine (PubChem CID 566655) has the molecular formula C13H14F5NO and a molecular weight of 295.25 g/mol. Its IUPAC name is 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine
PubChem CID566655
Molecular FormulaC13H14F5NO
Molecular Weight295.25 g/mol
Exact Mass295.10
IUPAC Name1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine
SMILESFc1c(F)c(F)c(OCCN2CCCCC2)c(F)c1F
InChIInChI=1S/C13H14F5NO/c14-8-9(15)11(17)13(12(18)10(8)16)20-7-6-19-4-2-1-3-5-19/h1-7H2
InChIKeyWHMUQXAUAMXXSJ-UHFFFAOYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine (CID 566655) is 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine is Fc1c(F)c(F)c(OCCN2CCCCC2)c(F)c1F.
What is the InChIKey of 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine?
The InChIKey is WHMUQXAUAMXXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5NO/c14-8-9(15)11(17)13(12(18)10(8)16)20-7-6-19-4-2-1-3-5-19/h1-7H2.
What are the key properties of 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine?
1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine has a molecular weight of 295.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 566655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).