[3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine

C9H5Cl2F3N4 — CID 59320626

IUPAC[3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine
SMILESNNc1nc2cc(C(F)(F)F)c(Cl)cc2nc1Cl
InChIInChI=1S/C9H5Cl2F3N4/c10-4-2-6-5(1-3(4)9(12,13)14)17-8(18-15)7(11)16-6/h1-2H,15H2,(H,17,18)
InChIKeyYYOJYLGXTOWUQN-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.24
Rot. Bonds1

About [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine

[3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine (PubChem CID 59320626) has the molecular formula C9H5Cl2F3N4 and a molecular weight of 297.07 g/mol. Its IUPAC name is [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine.

Molecular Properties

Compound Name[3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine
PubChem CID59320626
Molecular FormulaC9H5Cl2F3N4
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name[3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine
SMILESNNc1nc2cc(C(F)(F)F)c(Cl)cc2nc1Cl
InChIInChI=1S/C9H5Cl2F3N4/c10-4-2-6-5(1-3(4)9(12,13)14)17-8(18-15)7(11)16-6/h1-2H,15H2,(H,17,18)
InChIKeyYYOJYLGXTOWUQN-UHFFFAOYSA-N
XLogP3.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine?
The IUPAC name of [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine (CID 59320626) is [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine.
What is the SMILES notation for [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine?
The canonical SMILES for [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine is NNc1nc2cc(C(F)(F)F)c(Cl)cc2nc1Cl.
What is the InChIKey of [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine?
The InChIKey is YYOJYLGXTOWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3N4/c10-4-2-6-5(1-3(4)9(12,13)14)17-8(18-15)7(11)16-6/h1-2H,15H2,(H,17,18).
What are the key properties of [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine?
[3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine has a molecular weight of 297.07 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dichloro-7-(trifluoromethyl)quinoxalin-2-yl]hydrazine is sourced from PubChem (CID 59320626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).