6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline

C11H12BrF3N2 — CID 121365501

IUPAC6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2cc(C(F)(F)F)c(Br)cc2N1C
InChIInChI=1S/C11H12BrF3N2/c1-6-5-16-9-3-7(11(13,14)15)8(12)4-10(9)17(6)2/h3-4,6,16H,5H2,1-2H3
InChIKeyQRBUWKPVRNKLKN-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.72
Rot. Bonds

About 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline

6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 121365501) has the molecular formula C11H12BrF3N2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID121365501
Molecular FormulaC11H12BrF3N2
Molecular Weight309.13 g/mol
Exact Mass308.01
IUPAC Name6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2cc(C(F)(F)F)c(Br)cc2N1C
InChIInChI=1S/C11H12BrF3N2/c1-6-5-16-9-3-7(11(13,14)15)8(12)4-10(9)17(6)2/h3-4,6,16H,5H2,1-2H3
InChIKeyQRBUWKPVRNKLKN-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline (CID 121365501) is 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline is CC1CNc2cc(C(F)(F)F)c(Br)cc2N1C.
What is the InChIKey of 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is QRBUWKPVRNKLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2/c1-6-5-16-9-3-7(11(13,14)15)8(12)4-10(9)17(6)2/h3-4,6,16H,5H2,1-2H3.
What are the key properties of 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 309.13 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dimethyl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 121365501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).