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

C9H5F3N2O2 — CID 54772381

IUPAC3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2ncon2)cc1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)16-7-3-1-6(2-4-7)8-13-5-15-14-8/h1-5H
InChIKeyXVPYIVBONOKJBV-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.64
Rot. Bonds2

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

3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 54772381) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID54772381
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2ncon2)cc1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)16-7-3-1-6(2-4-7)8-13-5-15-14-8/h1-5H
InChIKeyXVPYIVBONOKJBV-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-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 54772381) is 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is XVPYIVBONOKJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)16-7-3-1-6(2-4-7)8-13-5-15-14-8/h1-5H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
3-[4-(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-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54772381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).