2-(trifluoromethyl)-1,3-oxazole

C4H2F3NO — CID 54319088

IUPAC2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncco1
InChIInChI=1S/C4H2F3NO/c5-4(6,7)3-8-1-2-9-3/h1-2H
InChIKeySQIMOLOVIIGARF-UHFFFAOYSA-N
MW137.06 g/mol
LogP1.69
Rot. Bonds

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

2-(trifluoromethyl)-1,3-oxazole (PubChem CID 54319088) has the molecular formula C4H2F3NO and a molecular weight of 137.06 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazole
PubChem CID54319088
Molecular FormulaC4H2F3NO
Molecular Weight137.06 g/mol
Exact Mass137.01
IUPAC Name2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncco1
InChIInChI=1S/C4H2F3NO/c5-4(6,7)3-8-1-2-9-3/h1-2H
InChIKeySQIMOLOVIIGARF-UHFFFAOYSA-N
XLogP1.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.06
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazole (CID 54319088) is 2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1ncco1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is SQIMOLOVIIGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO/c5-4(6,7)3-8-1-2-9-3/h1-2H.
What are the key properties of 2-(trifluoromethyl)-1,3-oxazole?
2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 137.06 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 54319088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).