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

C4H2F4N2O — CID 67178369

IUPAC2,5-bis(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C(F)F)o1
InChIInChI=1S/C4H2F4N2O/c5-1(6)3-9-10-4(11-3)2(7)8/h1-2H
InChIKeyCJUOAWFKZPIRLW-UHFFFAOYSA-N
MW170.07 g/mol
LogP1.94
Rot. Bonds2

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

2,5-bis(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 67178369) has the molecular formula C4H2F4N2O and a molecular weight of 170.07 g/mol. Its IUPAC name is 2,5-bis(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(difluoromethyl)-1,3,4-oxadiazole
PubChem CID67178369
Molecular FormulaC4H2F4N2O
Molecular Weight170.07 g/mol
Exact Mass170.01
IUPAC Name2,5-bis(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C(F)F)o1
InChIInChI=1S/C4H2F4N2O/c5-1(6)3-9-10-4(11-3)2(7)8/h1-2H
InChIKeyCJUOAWFKZPIRLW-UHFFFAOYSA-N
XLogP1.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.07
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(difluoromethyl)-1,3,4-oxadiazole (CID 67178369) is 2,5-bis(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(C(F)F)o1.
What is the InChIKey of 2,5-bis(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is CJUOAWFKZPIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4N2O/c5-1(6)3-9-10-4(11-3)2(7)8/h1-2H.
What are the key properties of 2,5-bis(difluoromethyl)-1,3,4-oxadiazole?
2,5-bis(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 170.07 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67178369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).