7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline

C11H8Cl4N2 — CID 66882040

IUPAC7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline
SMILESCc1cnc2ccc(Cl)c(CC(Cl)(Cl)Cl)c2n1
InChIInChI=1S/C11H8Cl4N2/c1-6-5-16-9-3-2-8(12)7(10(9)17-6)4-11(13,14)15/h2-3,5H,4H2,1H3
InChIKeyIIQRHQLXUOPLHR-UHFFFAOYSA-N
MW310.01 g/mol
LogP4.50
Rot. Bonds1

About 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline

7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline (PubChem CID 66882040) has the molecular formula C11H8Cl4N2 and a molecular weight of 310.01 g/mol. Its IUPAC name is 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline.

Molecular Properties

Compound Name7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline
PubChem CID66882040
Molecular FormulaC11H8Cl4N2
Molecular Weight310.01 g/mol
Exact Mass307.94
IUPAC Name7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline
SMILESCc1cnc2ccc(Cl)c(CC(Cl)(Cl)Cl)c2n1
InChIInChI=1S/C11H8Cl4N2/c1-6-5-16-9-3-2-8(12)7(10(9)17-6)4-11(13,14)15/h2-3,5H,4H2,1H3
InChIKeyIIQRHQLXUOPLHR-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.01
LogP ≤ 54.50
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 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline?
The IUPAC name of 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline (CID 66882040) is 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline.
What is the SMILES notation for 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline?
The canonical SMILES for 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline is Cc1cnc2ccc(Cl)c(CC(Cl)(Cl)Cl)c2n1.
What is the InChIKey of 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline?
The InChIKey is IIQRHQLXUOPLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl4N2/c1-6-5-16-9-3-2-8(12)7(10(9)17-6)4-11(13,14)15/h2-3,5H,4H2,1H3.
What are the key properties of 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline?
7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline has a molecular weight of 310.01 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline is sourced from PubChem (CID 66882040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).