3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

C5H4F3IN2O2 — CID 103211800

IUPAC3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1nc(I)no1
InChIInChI=1S/C5H4F3IN2O2/c6-5(7,8)2-12-1-3-10-4(9)11-13-3/h1-2H2
InChIKeyHIZOOJYWRPGGAT-UHFFFAOYSA-N
MW308.00 g/mol
LogP1.75
Rot. Bonds3

About 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 103211800) has the molecular formula C5H4F3IN2O2 and a molecular weight of 308.00 g/mol. Its IUPAC name is 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID103211800
Molecular FormulaC5H4F3IN2O2
Molecular Weight308.00 g/mol
Exact Mass307.93
IUPAC Name3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1nc(I)no1
InChIInChI=1S/C5H4F3IN2O2/c6-5(7,8)2-12-1-3-10-4(9)11-13-3/h1-2H2
InChIKeyHIZOOJYWRPGGAT-UHFFFAOYSA-N
XLogP1.75
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.00
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (CID 103211800) is 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is FC(F)(F)COCc1nc(I)no1.
What is the InChIKey of 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is HIZOOJYWRPGGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3IN2O2/c6-5(7,8)2-12-1-3-10-4(9)11-13-3/h1-2H2.
What are the key properties of 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 308.00 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103211800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).