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

C8H12F2N2O — CID 130709563

IUPAC2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1nnc(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-8(2,3)4-5-11-12-7(13-5)6(9)10/h6H,4H2,1-3H3
InChIKeyWQIXYLONADGXMS-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.60
Rot. Bonds2

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

2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole (PubChem CID 130709563) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
PubChem CID130709563
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1nnc(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-8(2,3)4-5-11-12-7(13-5)6(9)10/h6H,4H2,1-3H3
InChIKeyWQIXYLONADGXMS-UHFFFAOYSA-N
XLogP2.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole (CID 130709563) is 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole is CC(C)(C)Cc1nnc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
The InChIKey is WQIXYLONADGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-8(2,3)4-5-11-12-7(13-5)6(9)10/h6H,4H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole has a molecular weight of 190.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130709563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).