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

C9H4F4N2O — CID 54772290

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)cc1C(F)(F)F
InChIInChI=1S/C9H4F4N2O/c10-7-2-1-5(8-14-4-16-15-8)3-6(7)9(11,12)13/h1-4H
InChIKeyKHWIVHJFQYNIKG-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.89
Rot. Bonds1

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

3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 54772290) has the molecular formula C9H4F4N2O and a molecular weight of 232.14 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID54772290
Molecular FormulaC9H4F4N2O
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)cc1C(F)(F)F
InChIInChI=1S/C9H4F4N2O/c10-7-2-1-5(8-14-4-16-15-8)3-6(7)9(11,12)13/h1-4H
InChIKeyKHWIVHJFQYNIKG-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 54772290) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Fc1ccc(-c2ncon2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is KHWIVHJFQYNIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O/c10-7-2-1-5(8-14-4-16-15-8)3-6(7)9(11,12)13/h1-4H.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 232.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54772290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).