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

C4H4F3NO2 — CID 123278927

IUPAC3-(trifluoromethoxy)-2H-1,3-oxazole
SMILESFC(F)(F)ON1C=COC1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)10-8-1-2-9-3-8/h1-2H,3H2
InChIKeyYNKCLJULQDMRRM-UHFFFAOYSA-N
MW155.08 g/mol
LogP1.20
Rot. Bonds1

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

3-(trifluoromethoxy)-2H-1,3-oxazole (PubChem CID 123278927) has the molecular formula C4H4F3NO2 and a molecular weight of 155.08 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-2H-1,3-oxazole.

Molecular Properties

Compound Name3-(trifluoromethoxy)-2H-1,3-oxazole
PubChem CID123278927
Molecular FormulaC4H4F3NO2
Molecular Weight155.08 g/mol
Exact Mass155.02
IUPAC Name3-(trifluoromethoxy)-2H-1,3-oxazole
SMILESFC(F)(F)ON1C=COC1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)10-8-1-2-9-3-8/h1-2H,3H2
InChIKeyYNKCLJULQDMRRM-UHFFFAOYSA-N
XLogP1.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-2H-1,3-oxazole?
The IUPAC name of 3-(trifluoromethoxy)-2H-1,3-oxazole (CID 123278927) is 3-(trifluoromethoxy)-2H-1,3-oxazole.
What is the SMILES notation for 3-(trifluoromethoxy)-2H-1,3-oxazole?
The canonical SMILES for 3-(trifluoromethoxy)-2H-1,3-oxazole is FC(F)(F)ON1C=COC1.
What is the InChIKey of 3-(trifluoromethoxy)-2H-1,3-oxazole?
The InChIKey is YNKCLJULQDMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)10-8-1-2-9-3-8/h1-2H,3H2.
What are the key properties of 3-(trifluoromethoxy)-2H-1,3-oxazole?
3-(trifluoromethoxy)-2H-1,3-oxazole has a molecular weight of 155.08 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-2H-1,3-oxazole is sourced from PubChem (CID 123278927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).