2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole

C8H9F3N2OS — CID 121183571

IUPAC2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole
SMILESFC(F)(F)CN1CC(Oc2nccs2)C1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)5-13-3-6(4-13)14-7-12-1-2-15-7/h1-2,6H,3-5H2
InChIKeyFMWDAEOMUJFWDL-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.77
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole

2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole (PubChem CID 121183571) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole
PubChem CID121183571
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole
SMILESFC(F)(F)CN1CC(Oc2nccs2)C1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)5-13-3-6(4-13)14-7-12-1-2-15-7/h1-2,6H,3-5H2
InChIKeyFMWDAEOMUJFWDL-UHFFFAOYSA-N
XLogP1.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole (CID 121183571) is 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole is FC(F)(F)CN1CC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole?
The InChIKey is FMWDAEOMUJFWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)5-13-3-6(4-13)14-7-12-1-2-15-7/h1-2,6H,3-5H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole?
2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole has a molecular weight of 238.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121183571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).