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

C5H4BrF3N2O2 — CID 103211792

IUPAC3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1nc(Br)no1
InChIInChI=1S/C5H4BrF3N2O2/c6-4-10-3(13-11-4)1-12-2-5(7,8)9/h1-2H2
InChIKeyWTGQYEMMDGRNCU-UHFFFAOYSA-N
MW261.00 g/mol
LogP1.91
Rot. Bonds3

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

3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (PubChem CID 103211792) has the molecular formula C5H4BrF3N2O2 and a molecular weight of 261.00 g/mol. Its IUPAC name is 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
PubChem CID103211792
Molecular FormulaC5H4BrF3N2O2
Molecular Weight261.00 g/mol
Exact Mass259.94
IUPAC Name3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)COCc1nc(Br)no1
InChIInChI=1S/C5H4BrF3N2O2/c6-4-10-3(13-11-4)1-12-2-5(7,8)9/h1-2H2
InChIKeyWTGQYEMMDGRNCU-UHFFFAOYSA-N
XLogP1.91
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.00
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 103208664
5-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-3-amine
CID 103211788
3-Chloro-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211796
3-Iodo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103211800
5-(Ethoxymethyl)-1,2,4-oxadiazol-3-amine
CID 63692423
3-Bromo-5-(propoxymethyl)-1,2,4-oxadiazole
CID 107940714
5-(2-Methoxyethoxymethyl)-1,2,4-oxadiazol-3-amine
CID 108049309
3-Bromo-5-((2-methoxyethoxy)methyl)-1,2,4-oxadiazole
CID 108049310
3-Chloro-5-(2-methoxyethoxymethyl)-1,2,4-oxadiazole
CID 108049311
3-Iodo-5-(2-methoxyethoxymethyl)-1,2,4-oxadiazole
CID 108049312
1,2,4-Oxadiazole, 3-bromo-5-(methoxymethyl)-
CID 112571411
3-Bromo-5-(ethoxymethyl)-1,2,4-oxadiazole
CID 112571706

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole (CID 103211792) is 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole is FC(F)(F)COCc1nc(Br)no1.
What is the InChIKey of 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is WTGQYEMMDGRNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3N2O2/c6-4-10-3(13-11-4)1-12-2-5(7,8)9/h1-2H2.
What are the key properties of 3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole?
3-bromo-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 261.00 g/mol, XLogP of 1.91, 3 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-trifluoroethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103211792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).