2-(trichloromethyl)quinoxaline

C9H5Cl3N2 — CID 10848114

IUPAC2-(trichloromethyl)quinoxaline
SMILESClC(Cl)(Cl)c1cnc2ccccc2n1
InChIInChI=1S/C9H5Cl3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H
InChIKeyBEQYLCPTELFDLN-UHFFFAOYSA-N
MW247.51 g/mol
LogP3.46
Rot. Bonds

About 2-(trichloromethyl)quinoxaline

2-(trichloromethyl)quinoxaline (PubChem CID 10848114) has the molecular formula C9H5Cl3N2 and a molecular weight of 247.51 g/mol. Its IUPAC name is 2-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-(trichloromethyl)quinoxaline
PubChem CID10848114
Molecular FormulaC9H5Cl3N2
Molecular Weight247.51 g/mol
Exact Mass245.95
IUPAC Name2-(trichloromethyl)quinoxaline
SMILESClC(Cl)(Cl)c1cnc2ccccc2n1
InChIInChI=1S/C9H5Cl3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H
InChIKeyBEQYLCPTELFDLN-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trichloromethyl)quinoxaline?
The IUPAC name of 2-(trichloromethyl)quinoxaline (CID 10848114) is 2-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-(trichloromethyl)quinoxaline is ClC(Cl)(Cl)c1cnc2ccccc2n1.
What is the InChIKey of 2-(trichloromethyl)quinoxaline?
The InChIKey is BEQYLCPTELFDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H.
What are the key properties of 2-(trichloromethyl)quinoxaline?
2-(trichloromethyl)quinoxaline has a molecular weight of 247.51 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethyl)quinoxaline is sourced from PubChem (CID 10848114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).