2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine

C10H18F3NO2 — CID 62333798

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine
SMILESFC(F)(F)COCCOCC1CCCCN1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-15-7-9-3-1-2-4-14-9/h9,14H,1-8H2
InChIKeyVKDRWXKQKKRZBL-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds6

About 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine

2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine (PubChem CID 62333798) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine
PubChem CID62333798
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine
SMILESFC(F)(F)COCCOCC1CCCCN1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-15-7-9-3-1-2-4-14-9/h9,14H,1-8H2
InChIKeyVKDRWXKQKKRZBL-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine (CID 62333798) is 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine is FC(F)(F)COCCOCC1CCCCN1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine?
The InChIKey is VKDRWXKQKKRZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-5-15-7-9-3-1-2-4-14-9/h9,14H,1-8H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine?
2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine has a molecular weight of 241.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]piperidine is sourced from PubChem (CID 62333798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).