3-(difluoromethoxy)-1,2-oxazole

C4H3F2NO2 — CID 75525585

IUPAC3-(difluoromethoxy)-1,2-oxazole
SMILESFC(F)Oc1ccon1
InChIInChI=1S/C4H3F2NO2/c5-4(6)9-3-1-2-8-7-3/h1-2,4H
InChIKeyCVBVBRIUARAYKJ-UHFFFAOYSA-N
MW135.07 g/mol
LogP1.28
Rot. Bonds2

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

3-(difluoromethoxy)-1,2-oxazole (PubChem CID 75525585) has the molecular formula C4H3F2NO2 and a molecular weight of 135.07 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,2-oxazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,2-oxazole
PubChem CID75525585
Molecular FormulaC4H3F2NO2
Molecular Weight135.07 g/mol
Exact Mass135.01
IUPAC Name3-(difluoromethoxy)-1,2-oxazole
SMILESFC(F)Oc1ccon1
InChIInChI=1S/C4H3F2NO2/c5-4(6)9-3-1-2-8-7-3/h1-2,4H
InChIKeyCVBVBRIUARAYKJ-UHFFFAOYSA-N
XLogP1.28
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.07
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,2-oxazole?
The IUPAC name of 3-(difluoromethoxy)-1,2-oxazole (CID 75525585) is 3-(difluoromethoxy)-1,2-oxazole.
What is the SMILES notation for 3-(difluoromethoxy)-1,2-oxazole?
The canonical SMILES for 3-(difluoromethoxy)-1,2-oxazole is FC(F)Oc1ccon1.
What is the InChIKey of 3-(difluoromethoxy)-1,2-oxazole?
The InChIKey is CVBVBRIUARAYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NO2/c5-4(6)9-3-1-2-8-7-3/h1-2,4H.
What are the key properties of 3-(difluoromethoxy)-1,2-oxazole?
3-(difluoromethoxy)-1,2-oxazole has a molecular weight of 135.07 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,2-oxazole is sourced from PubChem (CID 75525585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).