3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole

C10H7F3N2O2 — CID 91082341

IUPAC3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COc1ccc(-c2ncon2)cc1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-16-8-3-1-7(2-4-8)9-14-6-17-15-9/h1-4,6H,5H2
InChIKeyPRAWYJRUHUXIMQ-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.68
Rot. Bonds3

About 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole

3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 91082341) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID91082341
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COc1ccc(-c2ncon2)cc1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-16-8-3-1-7(2-4-8)9-14-6-17-15-9/h1-4,6H,5H2
InChIKeyPRAWYJRUHUXIMQ-UHFFFAOYSA-N
XLogP2.68
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole (CID 91082341) is 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)COc1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is PRAWYJRUHUXIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)5-16-8-3-1-7(2-4-8)9-14-6-17-15-9/h1-4,6H,5H2.
What are the key properties of 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole?
3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 244.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91082341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).