2-fluoro-5,8-dithiophen-2-ylquinoxaline

C16H9FN2S2 — CID 141307629

IUPAC2-fluoro-5,8-dithiophen-2-ylquinoxaline
SMILESFc1cnc2c(-c3cccs3)ccc(-c3cccs3)c2n1
InChIInChI=1S/C16H9FN2S2/c17-14-9-18-15-10(12-3-1-7-20-12)5-6-11(16(15)19-14)13-4-2-8-21-13/h1-9H
InChIKeyYSNSCEWPKBIAGZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP5.23
Rot. Bonds2

About 2-fluoro-5,8-dithiophen-2-ylquinoxaline

2-fluoro-5,8-dithiophen-2-ylquinoxaline (PubChem CID 141307629) has the molecular formula C16H9FN2S2 and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-fluoro-5,8-dithiophen-2-ylquinoxaline.

Molecular Properties

Compound Name2-fluoro-5,8-dithiophen-2-ylquinoxaline
PubChem CID141307629
Molecular FormulaC16H9FN2S2
Molecular Weight312.39 g/mol
Exact Mass312.02
IUPAC Name2-fluoro-5,8-dithiophen-2-ylquinoxaline
SMILESFc1cnc2c(-c3cccs3)ccc(-c3cccs3)c2n1
InChIInChI=1S/C16H9FN2S2/c17-14-9-18-15-10(12-3-1-7-20-12)5-6-11(16(15)19-14)13-4-2-8-21-13/h1-9H
InChIKeyYSNSCEWPKBIAGZ-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
CID 162717711
2-methyl-3-thiophen-2-ylpyridine
CID 118471782
2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole
CID 102497600
3-methyl-6-thiophen-2-yl-1,2,4-triazine
CID 135139824
2-(4-ethoxy-2,3-difluorophenyl)thiophene
CID 143775731
6-chloro-8-thiophen-2-ylpyrido[3,2-d]pyrimidin-4-amine
CID 155341024
4-[5-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 118150181
4-methyl-5-thiophen-2-ylpyridin-2-amine
CID 79730062
2,4-difluoro-6-thiophen-2-ylpyrimidin-1-ium
CID 173081995

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,8-dithiophen-2-ylquinoxaline?
The IUPAC name of 2-fluoro-5,8-dithiophen-2-ylquinoxaline (CID 141307629) is 2-fluoro-5,8-dithiophen-2-ylquinoxaline.
What is the SMILES notation for 2-fluoro-5,8-dithiophen-2-ylquinoxaline?
The canonical SMILES for 2-fluoro-5,8-dithiophen-2-ylquinoxaline is Fc1cnc2c(-c3cccs3)ccc(-c3cccs3)c2n1.
What is the InChIKey of 2-fluoro-5,8-dithiophen-2-ylquinoxaline?
The InChIKey is YSNSCEWPKBIAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2S2/c17-14-9-18-15-10(12-3-1-7-20-12)5-6-11(16(15)19-14)13-4-2-8-21-13/h1-9H.
What are the key properties of 2-fluoro-5,8-dithiophen-2-ylquinoxaline?
2-fluoro-5,8-dithiophen-2-ylquinoxaline has a molecular weight of 312.39 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,8-dithiophen-2-ylquinoxaline is sourced from PubChem (CID 141307629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).