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

C7H8F2N2OS — CID 131153737

IUPAC2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CCCS2)o1
InChIInChI=1S/C7H8F2N2OS/c8-5(9)7-11-10-6(12-7)4-2-1-3-13-4/h4-5H,1-3H2
InChIKeyXBHALBGKSQUWIZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.58
Rot. Bonds2

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

2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole (PubChem CID 131153737) has the molecular formula C7H8F2N2OS and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole
PubChem CID131153737
Molecular FormulaC7H8F2N2OS
Molecular Weight206.22 g/mol
Exact Mass206.03
IUPAC Name2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(C2CCCS2)o1
InChIInChI=1S/C7H8F2N2OS/c8-5(9)7-11-10-6(12-7)4-2-1-3-13-4/h4-5H,1-3H2
InChIKeyXBHALBGKSQUWIZ-UHFFFAOYSA-N
XLogP2.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole (CID 131153737) is 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole is FC(F)c1nnc(C2CCCS2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole?
The InChIKey is XBHALBGKSQUWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS/c8-5(9)7-11-10-6(12-7)4-2-1-3-13-4/h4-5H,1-3H2.
What are the key properties of 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole has a molecular weight of 206.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 131153737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).