5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine

C11H20F3NO — CID 171717389

IUPAC5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine
SMILESCC(C)(C)C1CCC(OCC(F)(F)F)NC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)8-4-5-9(15-6-8)16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyWRFJBISWKKZKNT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.94
Rot. Bonds2

About 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine

5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine (PubChem CID 171717389) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine.

Molecular Properties

Compound Name5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine
PubChem CID171717389
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine
SMILESCC(C)(C)C1CCC(OCC(F)(F)F)NC1
InChIInChI=1S/C11H20F3NO/c1-10(2,3)8-4-5-9(15-6-8)16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3
InChIKeyWRFJBISWKKZKNT-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine?
The IUPAC name of 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine (CID 171717389) is 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine.
What is the SMILES notation for 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine?
The canonical SMILES for 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine is CC(C)(C)C1CCC(OCC(F)(F)F)NC1.
What is the InChIKey of 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine?
The InChIKey is WRFJBISWKKZKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)8-4-5-9(15-6-8)16-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine?
5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,2,2-trifluoroethoxy)piperidine is sourced from PubChem (CID 171717389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).