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

C4ClF5N2O — CID 104632896

IUPAC3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)C(F)(F)c1nc(Cl)no1
InChIInChI=1S/C4ClF5N2O/c5-2-11-1(13-12-2)3(6,7)4(8,9)10
InChIKeyXDKPMHFNULYLLA-UHFFFAOYSA-N
MW222.50 g/mol
LogP2.38
Rot. Bonds1

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

3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole (PubChem CID 104632896) has the molecular formula C4ClF5N2O and a molecular weight of 222.50 g/mol. Its IUPAC name is 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
PubChem CID104632896
Molecular FormulaC4ClF5N2O
Molecular Weight222.50 g/mol
Exact Mass221.96
IUPAC Name3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)C(F)(F)c1nc(Cl)no1
InChIInChI=1S/C4ClF5N2O/c5-2-11-1(13-12-2)3(6,7)4(8,9)10
InChIKeyXDKPMHFNULYLLA-UHFFFAOYSA-N
XLogP2.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.50
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole
CID 130700399
3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole
CID 131021297
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634696
2-chloro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 122487872
1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634387
3-(1-bromoethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132849221
5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 104632879
2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187
5-(trichloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 131107504
3-chloro-5-propan-2-yl-1,2,4-oxadiazole
CID 51000283
3-chloro-5-methoxy-1,2,4-oxadiazole
CID 112571823
2-(chloromethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
CID 104632661

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole (CID 104632896) is 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole is FC(F)(F)C(F)(F)c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
The InChIKey is XDKPMHFNULYLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF5N2O/c5-2-11-1(13-12-2)3(6,7)4(8,9)10.
What are the key properties of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole?
3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole has a molecular weight of 222.50 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104632896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).