5-(1,1-difluoroethyl)-1,2,4-oxadiazole

C4H4F2N2O — CID 141330262

IUPAC5-(1,1-difluoroethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)c1ncno1
InChIInChI=1S/C4H4F2N2O/c1-4(5,6)3-7-2-8-9-3/h2H,1H3
InChIKeyKTQZPCDXQAEFIT-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.18
Rot. Bonds1

About 5-(1,1-difluoroethyl)-1,2,4-oxadiazole

5-(1,1-difluoroethyl)-1,2,4-oxadiazole (PubChem CID 141330262) has the molecular formula C4H4F2N2O and a molecular weight of 134.09 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1,2,4-oxadiazole
PubChem CID141330262
Molecular FormulaC4H4F2N2O
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Name5-(1,1-difluoroethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)c1ncno1
InChIInChI=1S/C4H4F2N2O/c1-4(5,6)3-7-2-8-9-3/h2H,1H3
InChIKeyKTQZPCDXQAEFIT-UHFFFAOYSA-N
XLogP1.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,1-difluoroethyl)-1,2,4-oxadiazole (CID 141330262) is 5-(1,1-difluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-1,2,4-oxadiazole is CC(F)(F)c1ncno1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1,2,4-oxadiazole?
The InChIKey is KTQZPCDXQAEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O/c1-4(5,6)3-7-2-8-9-3/h2H,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-1,2,4-oxadiazole?
5-(1,1-difluoroethyl)-1,2,4-oxadiazole has a molecular weight of 134.09 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 141330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).