5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole

C7H2F6N4O2 — CID 14089275

IUPAC5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(Cc2noc(C(F)(F)F)n2)no1
InChIInChI=1S/C7H2F6N4O2/c8-6(9,10)4-14-2(16-18-4)1-3-15-5(19-17-3)7(11,12)13/h1H2
InChIKeyMMOLRGDSADCKGN-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.08
Rot. Bonds2

About 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole

5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 14089275) has the molecular formula C7H2F6N4O2 and a molecular weight of 288.11 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID14089275
Molecular FormulaC7H2F6N4O2
Molecular Weight288.11 g/mol
Exact Mass288.01
IUPAC Name5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(Cc2noc(C(F)(F)F)n2)no1
InChIInChI=1S/C7H2F6N4O2/c8-6(9,10)4-14-2(16-18-4)1-3-15-5(19-17-3)7(11,12)13/h1H2
InChIKeyMMOLRGDSADCKGN-UHFFFAOYSA-N
XLogP2.08
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole (CID 14089275) is 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole is FC(F)(F)c1nc(Cc2noc(C(F)(F)F)n2)no1.
What is the InChIKey of 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MMOLRGDSADCKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F6N4O2/c8-6(9,10)4-14-2(16-18-4)1-3-15-5(19-17-3)7(11,12)13/h1H2.
What are the key properties of 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole?
5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 288.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 14089275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).