4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine

C11H14F3NO3 — CID 155716665

IUPAC4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCOc1cc(OCC(F)(F)F)nc(OC(C)C)c1
InChIInChI=1S/C11H14F3NO3/c1-7(2)18-10-5-8(16-3)4-9(15-10)17-6-11(12,13)14/h4-5,7H,6H2,1-3H3
InChIKeyROZAXEVDYUOFGA-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.82
Rot. Bonds5

About 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine

4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 155716665) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine
PubChem CID155716665
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCOc1cc(OCC(F)(F)F)nc(OC(C)C)c1
InChIInChI=1S/C11H14F3NO3/c1-7(2)18-10-5-8(16-3)4-9(15-10)17-6-11(12,13)14/h4-5,7H,6H2,1-3H3
InChIKeyROZAXEVDYUOFGA-UHFFFAOYSA-N
XLogP2.82
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine (CID 155716665) is 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine is COc1cc(OCC(F)(F)F)nc(OC(C)C)c1.
What is the InChIKey of 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is ROZAXEVDYUOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-7(2)18-10-5-8(16-3)4-9(15-10)17-6-11(12,13)14/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine?
4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 265.23 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 155716665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).