2-tert-butyl-5-(trifluoromethoxy)piperidine

C10H18F3NO — CID 155003843

IUPAC2-tert-butyl-5-(trifluoromethoxy)piperidine
SMILESCC(C)(C)C1CCC(OC(F)(F)F)CN1
InChIInChI=1S/C10H18F3NO/c1-9(2,3)8-5-4-7(6-14-8)15-10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyXQZCQXCAJFGEKA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.69
Rot. Bonds1

About 2-tert-butyl-5-(trifluoromethoxy)piperidine

2-tert-butyl-5-(trifluoromethoxy)piperidine (PubChem CID 155003843) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-tert-butyl-5-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name2-tert-butyl-5-(trifluoromethoxy)piperidine
PubChem CID155003843
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-tert-butyl-5-(trifluoromethoxy)piperidine
SMILESCC(C)(C)C1CCC(OC(F)(F)F)CN1
InChIInChI=1S/C10H18F3NO/c1-9(2,3)8-5-4-7(6-14-8)15-10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyXQZCQXCAJFGEKA-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(trifluoromethoxy)piperidine?
The IUPAC name of 2-tert-butyl-5-(trifluoromethoxy)piperidine (CID 155003843) is 2-tert-butyl-5-(trifluoromethoxy)piperidine.
What is the SMILES notation for 2-tert-butyl-5-(trifluoromethoxy)piperidine?
The canonical SMILES for 2-tert-butyl-5-(trifluoromethoxy)piperidine is CC(C)(C)C1CCC(OC(F)(F)F)CN1.
What is the InChIKey of 2-tert-butyl-5-(trifluoromethoxy)piperidine?
The InChIKey is XQZCQXCAJFGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(2,3)8-5-4-7(6-14-8)15-10(11,12)13/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(trifluoromethoxy)piperidine?
2-tert-butyl-5-(trifluoromethoxy)piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(trifluoromethoxy)piperidine is sourced from PubChem (CID 155003843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).