6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine

C13H15F5N2O — CID 146526057

IUPAC6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1nc(N2CCC(F)(F)CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C13H15F5N2O/c1-9-10(21-8-13(16,17)18)2-3-11(19-9)20-6-4-12(14,15)5-7-20/h2-3H,4-8H2,1H3
InChIKeyWEBGYMVHTAGOGE-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.57
Rot. Bonds3

About 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine

6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 146526057) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine
PubChem CID146526057
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1nc(N2CCC(F)(F)CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C13H15F5N2O/c1-9-10(21-8-13(16,17)18)2-3-11(19-9)20-6-4-12(14,15)5-7-20/h2-3H,4-8H2,1H3
InChIKeyWEBGYMVHTAGOGE-UHFFFAOYSA-N
XLogP3.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine (CID 146526057) is 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine is Cc1nc(N2CCC(F)(F)CC2)ccc1OCC(F)(F)F.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is WEBGYMVHTAGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c1-9-10(21-8-13(16,17)18)2-3-11(19-9)20-6-4-12(14,15)5-7-20/h2-3H,4-8H2,1H3.
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine?
6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 310.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-2-methyl-3-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 146526057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).