4-[4-(trifluoromethyl)phenyl]oxadiazole

C9H5F3N2O — CID 67316276

IUPAC4-[4-(trifluoromethyl)phenyl]oxadiazole
SMILESFC(F)(F)c1ccc(-c2conn2)cc1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-6(2-4-7)8-5-15-14-13-8/h1-5H
InChIKeyWMHIXVQFBYHJTE-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.76
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]oxadiazole

4-[4-(trifluoromethyl)phenyl]oxadiazole (PubChem CID 67316276) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]oxadiazole.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]oxadiazole
PubChem CID67316276
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name4-[4-(trifluoromethyl)phenyl]oxadiazole
SMILESFC(F)(F)c1ccc(-c2conn2)cc1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-6(2-4-7)8-5-15-14-13-8/h1-5H
InChIKeyWMHIXVQFBYHJTE-UHFFFAOYSA-N
XLogP2.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]oxadiazole?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]oxadiazole (CID 67316276) is 4-[4-(trifluoromethyl)phenyl]oxadiazole.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]oxadiazole?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]oxadiazole is FC(F)(F)c1ccc(-c2conn2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]oxadiazole?
The InChIKey is WMHIXVQFBYHJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-6(2-4-7)8-5-15-14-13-8/h1-5H.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]oxadiazole?
4-[4-(trifluoromethyl)phenyl]oxadiazole has a molecular weight of 214.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]oxadiazole is sourced from PubChem (CID 67316276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).