1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine

C10H16F5NO — CID 59204094

IUPAC1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine
SMILESFC(F)(F)C(F)(F)COCCN1CCCCC1
InChIInChI=1S/C10H16F5NO/c11-9(12,10(13,14)15)8-17-7-6-16-4-2-1-3-5-16/h1-8H2
InChIKeySDXHHBVCMADFMT-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine

1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine (PubChem CID 59204094) has the molecular formula C10H16F5NO and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine
PubChem CID59204094
Molecular FormulaC10H16F5NO
Molecular Weight261.23 g/mol
Exact Mass261.12
IUPAC Name1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine
SMILESFC(F)(F)C(F)(F)COCCN1CCCCC1
InChIInChI=1S/C10H16F5NO/c11-9(12,10(13,14)15)8-17-7-6-16-4-2-1-3-5-16/h1-8H2
InChIKeySDXHHBVCMADFMT-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.69
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-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine (CID 59204094) is 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine is FC(F)(F)C(F)(F)COCCN1CCCCC1.
What is the InChIKey of 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine?
The InChIKey is SDXHHBVCMADFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO/c11-9(12,10(13,14)15)8-17-7-6-16-4-2-1-3-5-16/h1-8H2.
What are the key properties of 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine?
1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine has a molecular weight of 261.23 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]piperidine is sourced from PubChem (CID 59204094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).