2-(bromomethyl)-6-(trifluoromethyl)quinoxaline

C10H6BrF3N2 — CID 71379300

IUPAC2-(bromomethyl)-6-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1ccc2nc(CBr)cnc2c1
InChIInChI=1S/C10H6BrF3N2/c11-4-7-5-15-9-3-6(10(12,13)14)1-2-8(9)16-7/h1-3,5H,4H2
InChIKeyMQIFRBNFLUFVGK-UHFFFAOYSA-N
MW291.07 g/mol
LogP3.54
Rot. Bonds1

About 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline

2-(bromomethyl)-6-(trifluoromethyl)quinoxaline (PubChem CID 71379300) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(bromomethyl)-6-(trifluoromethyl)quinoxaline
PubChem CID71379300
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name2-(bromomethyl)-6-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1ccc2nc(CBr)cnc2c1
InChIInChI=1S/C10H6BrF3N2/c11-4-7-5-15-9-3-6(10(12,13)14)1-2-8(9)16-7/h1-3,5H,4H2
InChIKeyMQIFRBNFLUFVGK-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
3-(chloromethyl)-7-(trifluoromethyl)quinoline
CID 86719502
2-methylsulfinyl-6-(trifluoromethyl)quinoxaline
CID 117063180
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
4-chloro-7-(trifluoromethyl)quinolin-3-amine
CID 133061186
6-bromo-3-(trifluoromethyl)quinoline
CID 150537973
6-(trifluoromethyl)-1,4-benzoxazin-2-one
CID 154423234
2-[4-[5-(bromomethyl)-3-chloro-2-pyridinyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 25061702
6-fluoro-2-propylquinoxaline
CID 144941009
3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
CID 97181858

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline (CID 71379300) is 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline is FC(F)(F)c1ccc2nc(CBr)cnc2c1.
What is the InChIKey of 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline?
The InChIKey is MQIFRBNFLUFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-4-7-5-15-9-3-6(10(12,13)14)1-2-8(9)16-7/h1-3,5H,4H2.
What are the key properties of 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline?
2-(bromomethyl)-6-(trifluoromethyl)quinoxaline has a molecular weight of 291.07 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 71379300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).