3-tert-butyl-5-(2,2-difluoroethoxy)pyridine

C11H15F2NO — CID 167245615

IUPAC3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
SMILESCC(C)(C)c1cncc(OCC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-11(2,3)8-4-9(6-14-5-8)15-7-10(12)13/h4-6,10H,7H2,1-3H3
InChIKeyBSIYCQKVRATEMJ-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.02
Rot. Bonds3

About 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine

3-tert-butyl-5-(2,2-difluoroethoxy)pyridine (PubChem CID 167245615) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
PubChem CID167245615
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-tert-butyl-5-(2,2-difluoroethoxy)pyridine
SMILESCC(C)(C)c1cncc(OCC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-11(2,3)8-4-9(6-14-5-8)15-7-10(12)13/h4-6,10H,7H2,1-3H3
InChIKeyBSIYCQKVRATEMJ-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine?
The IUPAC name of 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine (CID 167245615) is 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine.
What is the SMILES notation for 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine?
The canonical SMILES for 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine is CC(C)(C)c1cncc(OCC(F)F)c1.
What is the InChIKey of 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine?
The InChIKey is BSIYCQKVRATEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,3)8-4-9(6-14-5-8)15-7-10(12)13/h4-6,10H,7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine?
3-tert-butyl-5-(2,2-difluoroethoxy)pyridine has a molecular weight of 215.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2,2-difluoroethoxy)pyridine is sourced from PubChem (CID 167245615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).