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

C6H7BrF2N2O2 — CID 103211790

IUPAC3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
SMILESFC(F)COCCc1nc(Br)no1
InChIInChI=1S/C6H7BrF2N2O2/c7-6-10-5(13-11-6)1-2-12-3-4(8)9/h4H,1-3H2
InChIKeyUIIBMQFYSAEQIT-UHFFFAOYSA-N
MW257.03 g/mol
LogP1.66
Rot. Bonds5

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

3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 103211790) has the molecular formula C6H7BrF2N2O2 and a molecular weight of 257.03 g/mol. Its IUPAC name is 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
PubChem CID103211790
Molecular FormulaC6H7BrF2N2O2
Molecular Weight257.03 g/mol
Exact Mass255.97
IUPAC Name3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
SMILESFC(F)COCCc1nc(Br)no1
InChIInChI=1S/C6H7BrF2N2O2/c7-6-10-5(13-11-6)1-2-12-3-4(8)9/h4H,1-3H2
InChIKeyUIIBMQFYSAEQIT-UHFFFAOYSA-N
XLogP1.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.03
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211755
2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 103211802
2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103211768
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106527740
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103211741
4-[2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 103146258
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 103151056
5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
CID 103146362
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 103150951
2-[2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273848
2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103206274

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole (CID 103211790) is 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole is FC(F)COCCc1nc(Br)no1.
What is the InChIKey of 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is UIIBMQFYSAEQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2O2/c7-6-10-5(13-11-6)1-2-12-3-4(8)9/h4H,1-3H2.
What are the key properties of 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole?
3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 257.03 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 103211790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).