6,7-difluoro-2-(2-hexyldecoxy)quinoxaline

C24H36F2N2O — CID 166594909

IUPAC6,7-difluoro-2-(2-hexyldecoxy)quinoxaline
SMILESCCCCCCCCC(CCCCCC)COc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C24H36F2N2O/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-29-24-17-27-22-15-20(25)21(26)16-23(22)28-24/h15-17,19H,3-14,18H2,1-2H3
InChIKeyLXXVPISMKYZISX-UHFFFAOYSA-N
MW406.56 g/mol
LogP7.62
Rot. Bonds15

About 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline

6,7-difluoro-2-(2-hexyldecoxy)quinoxaline (PubChem CID 166594909) has the molecular formula C24H36F2N2O and a molecular weight of 406.56 g/mol. Its IUPAC name is 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline.

Molecular Properties

Compound Name6,7-difluoro-2-(2-hexyldecoxy)quinoxaline
PubChem CID166594909
Molecular FormulaC24H36F2N2O
Molecular Weight406.56 g/mol
Exact Mass406.28
IUPAC Name6,7-difluoro-2-(2-hexyldecoxy)quinoxaline
SMILESCCCCCCCCC(CCCCCC)COc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C24H36F2N2O/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-29-24-17-27-22-15-20(25)21(26)16-23(22)28-24/h15-17,19H,3-14,18H2,1-2H3
InChIKeyLXXVPISMKYZISX-UHFFFAOYSA-N
XLogP7.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline?
The IUPAC name of 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline (CID 166594909) is 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline.
What is the SMILES notation for 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline?
The canonical SMILES for 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline is CCCCCCCCC(CCCCCC)COc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline?
The InChIKey is LXXVPISMKYZISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2N2O/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-29-24-17-27-22-15-20(25)21(26)16-23(22)28-24/h15-17,19H,3-14,18H2,1-2H3.
What are the key properties of 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline?
6,7-difluoro-2-(2-hexyldecoxy)quinoxaline has a molecular weight of 406.56 g/mol, XLogP of 7.62, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(2-hexyldecoxy)quinoxaline is sourced from PubChem (CID 166594909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).