7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline

C12H10F2N2S — CID 115285794

IUPAC7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESFc1ccc2c(c1F)NC(c1cccs1)CN2
InChIInChI=1S/C12H10F2N2S/c13-7-3-4-8-12(11(7)14)16-9(6-15-8)10-2-1-5-17-10/h1-5,9,15-16H,6H2
InChIKeyVQCTUDVWTIUVSL-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.61
Rot. Bonds1

About 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline

7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 115285794) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
PubChem CID115285794
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESFc1ccc2c(c1F)NC(c1cccs1)CN2
InChIInChI=1S/C12H10F2N2S/c13-7-3-4-8-12(11(7)14)16-9(6-15-8)10-2-1-5-17-10/h1-5,9,15-16H,6H2
InChIKeyVQCTUDVWTIUVSL-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline (CID 115285794) is 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline is Fc1ccc2c(c1F)NC(c1cccs1)CN2.
What is the InChIKey of 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is VQCTUDVWTIUVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-7-3-4-8-12(11(7)14)16-9(6-15-8)10-2-1-5-17-10/h1-5,9,15-16H,6H2.
What are the key properties of 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline?
7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 252.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 115285794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).