2-(trifluoromethylsulfinyl)-1,3-oxazole

C4H2F3NO2S — CID 90258746

IUPAC2-(trifluoromethylsulfinyl)-1,3-oxazole
SMILESO=S(c1ncco1)C(F)(F)F
InChIInChI=1S/C4H2F3NO2S/c5-4(6,7)11(9)3-8-1-2-10-3/h1-2H
InChIKeyASTLFFHLZWTQED-UHFFFAOYSA-N
MW185.13 g/mol
LogP1.30
Rot. Bonds1

About 2-(trifluoromethylsulfinyl)-1,3-oxazole

2-(trifluoromethylsulfinyl)-1,3-oxazole (PubChem CID 90258746) has the molecular formula C4H2F3NO2S and a molecular weight of 185.13 g/mol. Its IUPAC name is 2-(trifluoromethylsulfinyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(trifluoromethylsulfinyl)-1,3-oxazole
PubChem CID90258746
Molecular FormulaC4H2F3NO2S
Molecular Weight185.13 g/mol
Exact Mass184.98
IUPAC Name2-(trifluoromethylsulfinyl)-1,3-oxazole
SMILESO=S(c1ncco1)C(F)(F)F
InChIInChI=1S/C4H2F3NO2S/c5-4(6,7)11(9)3-8-1-2-10-3/h1-2H
InChIKeyASTLFFHLZWTQED-UHFFFAOYSA-N
XLogP1.30
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfinyl)-1,3-oxazole?
The IUPAC name of 2-(trifluoromethylsulfinyl)-1,3-oxazole (CID 90258746) is 2-(trifluoromethylsulfinyl)-1,3-oxazole.
What is the SMILES notation for 2-(trifluoromethylsulfinyl)-1,3-oxazole?
The canonical SMILES for 2-(trifluoromethylsulfinyl)-1,3-oxazole is O=S(c1ncco1)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfinyl)-1,3-oxazole?
The InChIKey is ASTLFFHLZWTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO2S/c5-4(6,7)11(9)3-8-1-2-10-3/h1-2H.
What are the key properties of 2-(trifluoromethylsulfinyl)-1,3-oxazole?
2-(trifluoromethylsulfinyl)-1,3-oxazole has a molecular weight of 185.13 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfinyl)-1,3-oxazole is sourced from PubChem (CID 90258746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).