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

C4H4F2N2O — CID 19901330

IUPAC2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(F)F)o1
InChIInChI=1S/C4H4F2N2O/c1-2-7-8-4(9-2)3(5)6/h3H,1H3
InChIKeyKZOQUZPLERUOCP-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.32
Rot. Bonds1

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

2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 19901330) has the molecular formula C4H4F2N2O and a molecular weight of 134.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole
PubChem CID19901330
Molecular FormulaC4H4F2N2O
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Name2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(F)F)o1
InChIInChI=1S/C4H4F2N2O/c1-2-7-8-4(9-2)3(5)6/h3H,1H3
InChIKeyKZOQUZPLERUOCP-UHFFFAOYSA-N
XLogP1.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole (CID 19901330) is 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is KZOQUZPLERUOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O/c1-2-7-8-4(9-2)3(5)6/h3H,1H3.
What are the key properties of 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole?
2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 134.09 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19901330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).