4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine

C11H20F3NO2 — CID 62340553

IUPAC4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine
SMILESFC(F)(F)COCCCOCC1CCNCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-1-6-16-8-10-2-4-15-5-3-10/h10,15H,1-9H2
InChIKeyXRSXCDQYXZIVCX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds7

About 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine

4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine (PubChem CID 62340553) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine
PubChem CID62340553
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine
SMILESFC(F)(F)COCCCOCC1CCNCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-1-6-16-8-10-2-4-15-5-3-10/h10,15H,1-9H2
InChIKeyXRSXCDQYXZIVCX-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
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 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine?
The IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine (CID 62340553) is 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine is FC(F)(F)COCCCOCC1CCNCC1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine?
The InChIKey is XRSXCDQYXZIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-7-1-6-16-8-10-2-4-15-5-3-10/h10,15H,1-9H2.
What are the key properties of 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine?
4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethoxy)propoxymethyl]piperidine is sourced from PubChem (CID 62340553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).