2-chloro-3-(trifluoromethyl)quinoxaline

C9H4ClF3N2 — CID 736421

IUPAC2-chloro-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Cl
InChIInChI=1S/C9H4ClF3N2/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4H
InChIKeyDSMMAQWRRJQVTQ-UHFFFAOYSA-N
MW232.59 g/mol
LogP3.30
Rot. Bonds

About 2-chloro-3-(trifluoromethyl)quinoxaline

2-chloro-3-(trifluoromethyl)quinoxaline (PubChem CID 736421) has the molecular formula C9H4ClF3N2 and a molecular weight of 232.59 g/mol. Its IUPAC name is 2-chloro-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-chloro-3-(trifluoromethyl)quinoxaline
PubChem CID736421
Molecular FormulaC9H4ClF3N2
Molecular Weight232.59 g/mol
Exact Mass232.00
IUPAC Name2-chloro-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Cl
InChIInChI=1S/C9H4ClF3N2/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4H
InChIKeyDSMMAQWRRJQVTQ-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-chloro-3-(trifluoromethyl)quinoxaline (CID 736421) is 2-chloro-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-chloro-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-chloro-3-(trifluoromethyl)quinoxaline is FC(F)(F)c1nc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(trifluoromethyl)quinoxaline?
The InChIKey is DSMMAQWRRJQVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4H.
What are the key properties of 2-chloro-3-(trifluoromethyl)quinoxaline?
2-chloro-3-(trifluoromethyl)quinoxaline has a molecular weight of 232.59 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 736421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).