2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine

C11H15F2NO2 — CID 174699922

IUPAC2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine
SMILESCOc1cnc(OCC(F)F)c(C(C)C)c1
InChIInChI=1S/C11H15F2NO2/c1-7(2)9-4-8(15-3)5-14-11(9)16-6-10(12)13/h4-5,7,10H,6H2,1-3H3
InChIKeyAZOFSEIGWNGNHG-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.86
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine

2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine (PubChem CID 174699922) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine
PubChem CID174699922
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine
SMILESCOc1cnc(OCC(F)F)c(C(C)C)c1
InChIInChI=1S/C11H15F2NO2/c1-7(2)9-4-8(15-3)5-14-11(9)16-6-10(12)13/h4-5,7,10H,6H2,1-3H3
InChIKeyAZOFSEIGWNGNHG-UHFFFAOYSA-N
XLogP2.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine (CID 174699922) is 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine is COc1cnc(OCC(F)F)c(C(C)C)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine?
The InChIKey is AZOFSEIGWNGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-7(2)9-4-8(15-3)5-14-11(9)16-6-10(12)13/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine?
2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine has a molecular weight of 231.24 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-methoxy-3-propan-2-ylpyridine is sourced from PubChem (CID 174699922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).