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

C6H8F2N2O — CID 130634901

IUPAC2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C(F)F)o1
InChIInChI=1S/C6H8F2N2O/c1-2-3-4-9-10-6(11-4)5(7)8/h5H,2-3H2,1H3
InChIKeyROIMXAIUMNKMSY-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.96
Rot. Bonds3

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

2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole (PubChem CID 130634901) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole
PubChem CID130634901
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C(F)F)o1
InChIInChI=1S/C6H8F2N2O/c1-2-3-4-9-10-6(11-4)5(7)8/h5H,2-3H2,1H3
InChIKeyROIMXAIUMNKMSY-UHFFFAOYSA-N
XLogP1.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole (CID 130634901) is 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is ROIMXAIUMNKMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-2-3-4-9-10-6(11-4)5(7)8/h5H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole?
2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 162.14 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 130634901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).