3-(trifluoromethoxy)-1,2-oxazole

C4H2F3NO2 — CID 123844059

IUPAC3-(trifluoromethoxy)-1,2-oxazole
SMILESFC(F)(F)Oc1ccon1
InChIInChI=1S/C4H2F3NO2/c5-4(6,7)10-3-1-2-9-8-3/h1-2H
InChIKeyRSLDJPRUEQIGQQ-UHFFFAOYSA-N
MW153.06 g/mol
LogP1.57
Rot. Bonds1

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

3-(trifluoromethoxy)-1,2-oxazole (PubChem CID 123844059) has the molecular formula C4H2F3NO2 and a molecular weight of 153.06 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-1,2-oxazole.

Molecular Properties

Compound Name3-(trifluoromethoxy)-1,2-oxazole
PubChem CID123844059
Molecular FormulaC4H2F3NO2
Molecular Weight153.06 g/mol
Exact Mass153.00
IUPAC Name3-(trifluoromethoxy)-1,2-oxazole
SMILESFC(F)(F)Oc1ccon1
InChIInChI=1S/C4H2F3NO2/c5-4(6,7)10-3-1-2-9-8-3/h1-2H
InChIKeyRSLDJPRUEQIGQQ-UHFFFAOYSA-N
XLogP1.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.06
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-1,2-oxazole?
The IUPAC name of 3-(trifluoromethoxy)-1,2-oxazole (CID 123844059) is 3-(trifluoromethoxy)-1,2-oxazole.
What is the SMILES notation for 3-(trifluoromethoxy)-1,2-oxazole?
The canonical SMILES for 3-(trifluoromethoxy)-1,2-oxazole is FC(F)(F)Oc1ccon1.
What is the InChIKey of 3-(trifluoromethoxy)-1,2-oxazole?
The InChIKey is RSLDJPRUEQIGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO2/c5-4(6,7)10-3-1-2-9-8-3/h1-2H.
What are the key properties of 3-(trifluoromethoxy)-1,2-oxazole?
3-(trifluoromethoxy)-1,2-oxazole has a molecular weight of 153.06 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-1,2-oxazole is sourced from PubChem (CID 123844059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).