5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole

C14H7FN2OS2 — CID 129229165

IUPAC5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole
SMILESFc1cc(-c2cccs2)c2nonc2c1-c1cccs1
InChIInChI=1S/C14H7FN2OS2/c15-9-7-8(10-3-1-5-19-10)13-14(17-18-16-13)12(9)11-4-2-6-20-11/h1-7H
InChIKeyNLEJPQGROQIREI-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.82
Rot. Bonds2

About 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole

5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole (PubChem CID 129229165) has the molecular formula C14H7FN2OS2 and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole
PubChem CID129229165
Molecular FormulaC14H7FN2OS2
Molecular Weight302.36 g/mol
Exact Mass302.00
IUPAC Name5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole
SMILESFc1cc(-c2cccs2)c2nonc2c1-c1cccs1
InChIInChI=1S/C14H7FN2OS2/c15-9-7-8(10-3-1-5-19-10)13-14(17-18-16-13)12(9)11-4-2-6-20-11/h1-7H
InChIKeyNLEJPQGROQIREI-UHFFFAOYSA-N
XLogP4.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole?
The IUPAC name of 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole (CID 129229165) is 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole?
The canonical SMILES for 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole is Fc1cc(-c2cccs2)c2nonc2c1-c1cccs1.
What is the InChIKey of 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole?
The InChIKey is NLEJPQGROQIREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN2OS2/c15-9-7-8(10-3-1-5-19-10)13-14(17-18-16-13)12(9)11-4-2-6-20-11/h1-7H.
What are the key properties of 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole?
5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole has a molecular weight of 302.36 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole is sourced from PubChem (CID 129229165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).