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

C4HF5N2O — CID 91096733

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)C(F)(F)c1ncno1
InChIInChI=1S/C4HF5N2O/c5-3(6,4(7,8)9)2-10-1-11-12-2/h1H
InChIKeyVJEBSQSMXQGMGO-UHFFFAOYSA-N
MW188.06 g/mol
LogP1.72
Rot. Bonds1

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

5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole (PubChem CID 91096733) has the molecular formula C4HF5N2O and a molecular weight of 188.06 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
PubChem CID91096733
Molecular FormulaC4HF5N2O
Molecular Weight188.06 g/mol
Exact Mass188.00
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)C(F)(F)c1ncno1
InChIInChI=1S/C4HF5N2O/c5-3(6,4(7,8)9)2-10-1-11-12-2/h1H
InChIKeyVJEBSQSMXQGMGO-UHFFFAOYSA-N
XLogP1.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole (CID 91096733) is 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole is FC(F)(F)C(F)(F)c1ncno1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
The InChIKey is VJEBSQSMXQGMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5N2O/c5-3(6,4(7,8)9)2-10-1-11-12-2/h1H.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole has a molecular weight of 188.06 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91096733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).