6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline

C10H11BrF2N2 — CID 121365359

IUPAC6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2cc(C(F)F)c(Br)cc21
InChIInChI=1S/C10H11BrF2N2/c1-15-3-2-14-8-4-6(10(12)13)7(11)5-9(8)15/h4-5,10,14H,2-3H2,1H3
InChIKeyTZNPUJVDWGAWII-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.25
Rot. Bonds1

About 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline

6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 121365359) has the molecular formula C10H11BrF2N2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID121365359
Molecular FormulaC10H11BrF2N2
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNc2cc(C(F)F)c(Br)cc21
InChIInChI=1S/C10H11BrF2N2/c1-15-3-2-14-8-4-6(10(12)13)7(11)5-9(8)15/h4-5,10,14H,2-3H2,1H3
InChIKeyTZNPUJVDWGAWII-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline (CID 121365359) is 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline is CN1CCNc2cc(C(F)F)c(Br)cc21.
What is the InChIKey of 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is TZNPUJVDWGAWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2/c1-15-3-2-14-8-4-6(10(12)13)7(11)5-9(8)15/h4-5,10,14H,2-3H2,1H3.
What are the key properties of 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline?
6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 277.11 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(difluoromethyl)-4-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 121365359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).