3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C10H4F6N2O — CID 134228404

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ncon2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H4F6N2O/c11-9(12,13)6-1-5(8-17-4-19-18-8)2-7(3-6)10(14,15)16/h1-4H
InChIKeyZASUFORWSGFPOX-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.77
Rot. Bonds1

About 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 134228404) has the molecular formula C10H4F6N2O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID134228404
Molecular FormulaC10H4F6N2O
Molecular Weight282.14 g/mol
Exact Mass282.02
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ncon2)cc(C(F)(F)F)c1
InChIInChI=1S/C10H4F6N2O/c11-9(12,13)6-1-5(8-17-4-19-18-8)2-7(3-6)10(14,15)16/h1-4H
InChIKeyZASUFORWSGFPOX-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 134228404) is 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2ncon2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZASUFORWSGFPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2O/c11-9(12,13)6-1-5(8-17-4-19-18-8)2-7(3-6)10(14,15)16/h1-4H.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 282.14 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134228404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).