4-(trifluoromethylsulfonyl)-1,2-oxazole

C4H2F3NO3S — CID 57485917

IUPAC4-(trifluoromethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)C(F)(F)F
InChIInChI=1S/C4H2F3NO3S/c5-4(6,7)12(9,10)3-1-8-11-2-3/h1-2H
InChIKeyYUWUUXRSXQDXQH-UHFFFAOYSA-N
MW201.12 g/mol
LogP0.97
Rot. Bonds1

About 4-(trifluoromethylsulfonyl)-1,2-oxazole

4-(trifluoromethylsulfonyl)-1,2-oxazole (PubChem CID 57485917) has the molecular formula C4H2F3NO3S and a molecular weight of 201.12 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)-1,2-oxazole
PubChem CID57485917
Molecular FormulaC4H2F3NO3S
Molecular Weight201.12 g/mol
Exact Mass200.97
IUPAC Name4-(trifluoromethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)C(F)(F)F
InChIInChI=1S/C4H2F3NO3S/c5-4(6,7)12(9,10)3-1-8-11-2-3/h1-2H
InChIKeyYUWUUXRSXQDXQH-UHFFFAOYSA-N
XLogP0.97
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)-1,2-oxazole?
The IUPAC name of 4-(trifluoromethylsulfonyl)-1,2-oxazole (CID 57485917) is 4-(trifluoromethylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)-1,2-oxazole?
The canonical SMILES for 4-(trifluoromethylsulfonyl)-1,2-oxazole is O=S(=O)(c1cnoc1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfonyl)-1,2-oxazole?
The InChIKey is YUWUUXRSXQDXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO3S/c5-4(6,7)12(9,10)3-1-8-11-2-3/h1-2H.
What are the key properties of 4-(trifluoromethylsulfonyl)-1,2-oxazole?
4-(trifluoromethylsulfonyl)-1,2-oxazole has a molecular weight of 201.12 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 57485917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).