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

C4F6N2O — CID 2736169

IUPAC2,5-bis(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C4F6N2O/c5-3(6,7)1-11-12-2(13-1)4(8,9)10
InChIKeyQJZONKZTJJLSQL-UHFFFAOYSA-N
MW206.05 g/mol
LogP2.11
Rot. Bonds

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

2,5-bis(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 2736169) has the molecular formula C4F6N2O and a molecular weight of 206.05 g/mol. Its IUPAC name is 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID2736169
Molecular FormulaC4F6N2O
Molecular Weight206.05 g/mol
Exact Mass205.99
IUPAC Name2,5-bis(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C4F6N2O/c5-3(6,7)1-11-12-2(13-1)4(8,9)10
InChIKeyQJZONKZTJJLSQL-UHFFFAOYSA-N
XLogP2.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole (CID 2736169) is 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C(F)(F)F)o1.
What is the InChIKey of 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is QJZONKZTJJLSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6N2O/c5-3(6,7)1-11-12-2(13-1)4(8,9)10.
What are the key properties of 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole?
2,5-bis(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 206.05 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2736169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).