2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

C15H13F3N2O2S — CID 122251883

IUPAC2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)12-4-1-5-13(19-12)22-10-8-20(9-10)14(21)7-11-3-2-6-23-11/h1-6,10H,7-9H2
InChIKeySJAHWAWGYRVODN-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.99
Rot. Bonds4

About 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (PubChem CID 122251883) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
PubChem CID122251883
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)12-4-1-5-13(19-12)22-10-8-20(9-10)14(21)7-11-3-2-6-23-11/h1-6,10H,7-9H2
InChIKeySJAHWAWGYRVODN-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (CID 122251883) is 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is O=C(Cc1cccs1)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The InChIKey is SJAHWAWGYRVODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c16-15(17,18)12-4-1-5-13(19-12)22-10-8-20(9-10)14(21)7-11-3-2-6-23-11/h1-6,10H,7-9H2.
What are the key properties of 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone has a molecular weight of 342.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 122251883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).