5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride

C3H2ClF3N2O — CID 162336372

IUPAC5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncno1
InChIInChI=1S/C3HF3N2O.ClH/c4-3(5,6)2-7-1-8-9-2;/h1H;1H
InChIKeyWMFPLALDPXLMKY-UHFFFAOYSA-N
MW174.51 g/mol
LogP1.51
Rot. Bonds

About 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride

5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 162336372) has the molecular formula C3H2ClF3N2O and a molecular weight of 174.51 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID162336372
Molecular FormulaC3H2ClF3N2O
Molecular Weight174.51 g/mol
Exact Mass173.98
IUPAC Name5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)(F)c1ncno1
InChIInChI=1S/C3HF3N2O.ClH/c4-3(5,6)2-7-1-8-9-2;/h1H;1H
InChIKeyWMFPLALDPXLMKY-UHFFFAOYSA-N
XLogP1.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.51
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride (CID 162336372) is 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride is Cl.FC(F)(F)c1ncno1.
What is the InChIKey of 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WMFPLALDPXLMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3N2O.ClH/c4-3(5,6)2-7-1-8-9-2;/h1H;1H.
What are the key properties of 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 174.51 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 162336372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).