5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole

C6H7F2IN2O2 — CID 103211798

IUPAC5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole
SMILESFC(F)COCCc1nc(I)no1
InChIInChI=1S/C6H7F2IN2O2/c7-4(8)3-12-2-1-5-10-6(9)11-13-5/h4H,1-3H2
InChIKeyOMYNAKKABRDHJC-UHFFFAOYSA-N
MW304.03 g/mol
LogP1.50
Rot. Bonds5

About 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole

5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole (PubChem CID 103211798) has the molecular formula C6H7F2IN2O2 and a molecular weight of 304.03 g/mol. Its IUPAC name is 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole
PubChem CID103211798
Molecular FormulaC6H7F2IN2O2
Molecular Weight304.03 g/mol
Exact Mass303.95
IUPAC Name5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole
SMILESFC(F)COCCc1nc(I)no1
InChIInChI=1S/C6H7F2IN2O2/c7-4(8)3-12-2-1-5-10-6(9)11-13-5/h4H,1-3H2
InChIKeyOMYNAKKABRDHJC-UHFFFAOYSA-N
XLogP1.50
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole (CID 103211798) is 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole is FC(F)COCCc1nc(I)no1.
What is the InChIKey of 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole?
The InChIKey is OMYNAKKABRDHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2IN2O2/c7-4(8)3-12-2-1-5-10-6(9)11-13-5/h4H,1-3H2.
What are the key properties of 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole?
5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole has a molecular weight of 304.03 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 103211798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).