5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid

C5HF5N2O3 — CID 104632693

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C(F)(F)C(F)(F)F)o1
InChIInChI=1S/C5HF5N2O3/c6-4(7,5(8,9)10)3-12-11-1(15-3)2(13)14/h(H,13,14)
InChIKeyZUZFEZHAQCATFT-UHFFFAOYSA-N
MW232.06 g/mol
LogP1.42
Rot. Bonds2

About 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 104632693) has the molecular formula C5HF5N2O3 and a molecular weight of 232.06 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID104632693
Molecular FormulaC5HF5N2O3
Molecular Weight232.06 g/mol
Exact Mass231.99
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C(F)(F)C(F)(F)F)o1
InChIInChI=1S/C5HF5N2O3/c6-4(7,5(8,9)10)3-12-11-1(15-3)2(13)14/h(H,13,14)
InChIKeyZUZFEZHAQCATFT-UHFFFAOYSA-N
XLogP1.42
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 104632693) is 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(C(F)(F)C(F)(F)F)o1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is ZUZFEZHAQCATFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF5N2O3/c6-4(7,5(8,9)10)3-12-11-1(15-3)2(13)14/h(H,13,14).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 232.06 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 104632693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).