2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline

C10H12F2N2 — CID 82156516

IUPAC2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline
SMILESCCC1CNc2cc(F)c(F)cc2N1
InChIInChI=1S/C10H12F2N2/c1-2-6-5-13-9-3-7(11)8(12)4-10(9)14-6/h3-4,6,13-14H,2,5H2,1H3
InChIKeyUTSVITIFEZSBEO-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.58
Rot. Bonds1

About 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline

2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline (PubChem CID 82156516) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline
PubChem CID82156516
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline
SMILESCCC1CNc2cc(F)c(F)cc2N1
InChIInChI=1S/C10H12F2N2/c1-2-6-5-13-9-3-7(11)8(12)4-10(9)14-6/h3-4,6,13-14H,2,5H2,1H3
InChIKeyUTSVITIFEZSBEO-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline (CID 82156516) is 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline is CCC1CNc2cc(F)c(F)cc2N1.
What is the InChIKey of 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is UTSVITIFEZSBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-2-6-5-13-9-3-7(11)8(12)4-10(9)14-6/h3-4,6,13-14H,2,5H2,1H3.
What are the key properties of 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline?
2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 198.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 82156516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).