2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine

C11H14F3NO — CID 167245617

IUPAC2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-10(2,3)9-8(5-4-6-15-9)16-7-11(12,13)14/h4-6H,7H2,1-3H3
InChIKeyQQCHHOXSRPXTFN-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.32
Rot. Bonds2

About 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine

2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 167245617) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine
PubChem CID167245617
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-10(2,3)9-8(5-4-6-15-9)16-7-11(12,13)14/h4-6H,7H2,1-3H3
InChIKeyQQCHHOXSRPXTFN-UHFFFAOYSA-N
XLogP3.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine (CID 167245617) is 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine is CC(C)(C)c1ncccc1OCC(F)(F)F.
What is the InChIKey of 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is QQCHHOXSRPXTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(2,3)9-8(5-4-6-15-9)16-7-11(12,13)14/h4-6H,7H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine?
2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 233.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 167245617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).