6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline

C10H12BrFN2O — CID 81082002

IUPAC6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2cc(Br)c(F)cc2N1
InChIInChI=1S/C10H12BrFN2O/c1-15-5-6-4-13-9-2-7(11)8(12)3-10(9)14-6/h2-3,6,13-14H,4-5H2,1H3
InChIKeySPKGVELUOQZTCF-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.44
Rot. Bonds2

About 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline

6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 81082002) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID81082002
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2cc(Br)c(F)cc2N1
InChIInChI=1S/C10H12BrFN2O/c1-15-5-6-4-13-9-2-7(11)8(12)3-10(9)14-6/h2-3,6,13-14H,4-5H2,1H3
InChIKeySPKGVELUOQZTCF-UHFFFAOYSA-N
XLogP2.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline (CID 81082002) is 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline is COCC1CNc2cc(Br)c(F)cc2N1.
What is the InChIKey of 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is SPKGVELUOQZTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-15-5-6-4-13-9-2-7(11)8(12)3-10(9)14-6/h2-3,6,13-14H,4-5H2,1H3.
What are the key properties of 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline?
6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 275.12 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 81082002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).