2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine

C11H15F2NO — CID 165043952

IUPAC2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine
SMILESCc1cnc(OCC(F)F)cc1C(C)C
InChIInChI=1S/C11H15F2NO/c1-7(2)9-4-11(14-5-8(9)3)15-6-10(12)13/h4-5,7,10H,6H2,1-3H3
InChIKeyOOWFGYURONOYJW-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.16
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine

2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine (PubChem CID 165043952) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine
PubChem CID165043952
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine
SMILESCc1cnc(OCC(F)F)cc1C(C)C
InChIInChI=1S/C11H15F2NO/c1-7(2)9-4-11(14-5-8(9)3)15-6-10(12)13/h4-5,7,10H,6H2,1-3H3
InChIKeyOOWFGYURONOYJW-UHFFFAOYSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine (CID 165043952) is 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine is Cc1cnc(OCC(F)F)cc1C(C)C.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine?
The InChIKey is OOWFGYURONOYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(2)9-4-11(14-5-8(9)3)15-6-10(12)13/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine?
2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine has a molecular weight of 215.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine is sourced from PubChem (CID 165043952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).