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

C9H5F3N2O2 — CID 54772363

IUPAC3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1ncon1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)16-7-4-2-1-3-6(7)8-13-5-15-14-8/h1-5H
InChIKeyUUXMKVIYIGDUSG-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.64
Rot. Bonds2

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

3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 54772363) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID54772363
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1ncon1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)16-7-4-2-1-3-6(7)8-13-5-15-14-8/h1-5H
InChIKeyUUXMKVIYIGDUSG-UHFFFAOYSA-N
XLogP2.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 54772363) is 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccccc1-c1ncon1.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is UUXMKVIYIGDUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)16-7-4-2-1-3-6(7)8-13-5-15-14-8/h1-5H.
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 230.15 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54772363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).