2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline

C15H9ClF2N2O — CID 169250407

IUPAC2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline
SMILESCc1c(Oc2nc3ccccc3nc2Cl)ccc(F)c1F
InChIInChI=1S/C15H9ClF2N2O/c1-8-12(7-6-9(17)13(8)18)21-15-14(16)19-10-4-2-3-5-11(10)20-15/h2-7H,1H3
InChIKeyHEKUOZYLSUNEFQ-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.66
Rot. Bonds2

About 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline

2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline (PubChem CID 169250407) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline.

Molecular Properties

Compound Name2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline
PubChem CID169250407
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline
SMILESCc1c(Oc2nc3ccccc3nc2Cl)ccc(F)c1F
InChIInChI=1S/C15H9ClF2N2O/c1-8-12(7-6-9(17)13(8)18)21-15-14(16)19-10-4-2-3-5-11(10)20-15/h2-7H,1H3
InChIKeyHEKUOZYLSUNEFQ-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline?
The IUPAC name of 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline (CID 169250407) is 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline.
What is the SMILES notation for 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline?
The canonical SMILES for 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline is Cc1c(Oc2nc3ccccc3nc2Cl)ccc(F)c1F.
What is the InChIKey of 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline?
The InChIKey is HEKUOZYLSUNEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c1-8-12(7-6-9(17)13(8)18)21-15-14(16)19-10-4-2-3-5-11(10)20-15/h2-7H,1H3.
What are the key properties of 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline?
2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline has a molecular weight of 306.70 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3,4-difluoro-2-methylphenoxy)quinoxaline is sourced from PubChem (CID 169250407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).