6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline

C12H18BrFN2 — CID 145091406

IUPAC6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline
SMILESCC(F)C1=C(Br)C=C2C(NCCN2C)C1C
InChIInChI=1S/C12H18BrFN2/c1-7-11(8(2)14)9(13)6-10-12(7)15-4-5-16(10)3/h6-8,12,15H,4-5H2,1-3H3
InChIKeyUGBUNKWDUBQFHV-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.43
Rot. Bonds1

About 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline

6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline (PubChem CID 145091406) has the molecular formula C12H18BrFN2 and a molecular weight of 289.19 g/mol. Its IUPAC name is 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline.

Molecular Properties

Compound Name6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline
PubChem CID145091406
Molecular FormulaC12H18BrFN2
Molecular Weight289.19 g/mol
Exact Mass288.06
IUPAC Name6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline
SMILESCC(F)C1=C(Br)C=C2C(NCCN2C)C1C
InChIInChI=1S/C12H18BrFN2/c1-7-11(8(2)14)9(13)6-10-12(7)15-4-5-16(10)3/h6-8,12,15H,4-5H2,1-3H3
InChIKeyUGBUNKWDUBQFHV-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline?
The IUPAC name of 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline (CID 145091406) is 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline.
What is the SMILES notation for 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline?
The canonical SMILES for 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline is CC(F)C1=C(Br)C=C2C(NCCN2C)C1C.
What is the InChIKey of 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline?
The InChIKey is UGBUNKWDUBQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2/c1-7-11(8(2)14)9(13)6-10-12(7)15-4-5-16(10)3/h6-8,12,15H,4-5H2,1-3H3.
What are the key properties of 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline?
6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline has a molecular weight of 289.19 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(1-fluoroethyl)-4,8-dimethyl-2,3,8,8a-tetrahydro-1H-quinoxaline is sourced from PubChem (CID 145091406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).