2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole

C8H6F2N2OS — CID 170733893

IUPAC2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C8H6F2N2OS/c1-4-2-3-5(14-4)7-11-12-8(13-7)6(9)10/h2-3,6H,1H3
InChIKeyNFKQNZIOCMWAIL-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.04
Rot. Bonds2

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

2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 170733893) has the molecular formula C8H6F2N2OS and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID170733893
Molecular FormulaC8H6F2N2OS
Molecular Weight216.21 g/mol
Exact Mass216.02
IUPAC Name2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C8H6F2N2OS/c1-4-2-3-5(14-4)7-11-12-8(13-7)6(9)10/h2-3,6H,1H3
InChIKeyNFKQNZIOCMWAIL-UHFFFAOYSA-N
XLogP3.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 170733893) is 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C(F)F)o2)s1.
What is the InChIKey of 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is NFKQNZIOCMWAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2OS/c1-4-2-3-5(14-4)7-11-12-8(13-7)6(9)10/h2-3,6H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 216.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 170733893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).