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

C7H3BrF2N2OS — CID 170733913

IUPAC2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C7H3BrF2N2OS/c8-4-2-1-3(14-4)6-11-12-7(13-6)5(9)10/h1-2,5H
InChIKeyNJNKDGLYQSTGKF-UHFFFAOYSA-N
MW281.08 g/mol
LogP3.50
Rot. Bonds2

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

2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 170733913) has the molecular formula C7H3BrF2N2OS and a molecular weight of 281.08 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID170733913
Molecular FormulaC7H3BrF2N2OS
Molecular Weight281.08 g/mol
Exact Mass279.91
IUPAC Name2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C7H3BrF2N2OS/c8-4-2-1-3(14-4)6-11-12-7(13-6)5(9)10/h1-2,5H
InChIKeyNJNKDGLYQSTGKF-UHFFFAOYSA-N
XLogP3.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole (CID 170733913) is 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Br)s2)o1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is NJNKDGLYQSTGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2OS/c8-4-2-1-3(14-4)6-11-12-7(13-6)5(9)10/h1-2,5H.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 281.08 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 170733913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).