6-butoxy-7-fluoroquinoxaline

C12H13FN2O — CID 119089834

IUPAC6-butoxy-7-fluoroquinoxaline
SMILESCCCCOc1cc2nccnc2cc1F
InChIInChI=1S/C12H13FN2O/c1-2-3-6-16-12-8-11-10(7-9(12)13)14-4-5-15-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyAIMZWJMSOHYGFI-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.95
Rot. Bonds4

About 6-butoxy-7-fluoroquinoxaline

6-butoxy-7-fluoroquinoxaline (PubChem CID 119089834) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-butoxy-7-fluoroquinoxaline.

Molecular Properties

Compound Name6-butoxy-7-fluoroquinoxaline
PubChem CID119089834
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name6-butoxy-7-fluoroquinoxaline
SMILESCCCCOc1cc2nccnc2cc1F
InChIInChI=1S/C12H13FN2O/c1-2-3-6-16-12-8-11-10(7-9(12)13)14-4-5-15-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyAIMZWJMSOHYGFI-UHFFFAOYSA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butoxy-7-fluoroquinoxaline?
The IUPAC name of 6-butoxy-7-fluoroquinoxaline (CID 119089834) is 6-butoxy-7-fluoroquinoxaline.
What is the SMILES notation for 6-butoxy-7-fluoroquinoxaline?
The canonical SMILES for 6-butoxy-7-fluoroquinoxaline is CCCCOc1cc2nccnc2cc1F.
What is the InChIKey of 6-butoxy-7-fluoroquinoxaline?
The InChIKey is AIMZWJMSOHYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-3-6-16-12-8-11-10(7-9(12)13)14-4-5-15-11/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 6-butoxy-7-fluoroquinoxaline?
6-butoxy-7-fluoroquinoxaline has a molecular weight of 220.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-7-fluoroquinoxaline is sourced from PubChem (CID 119089834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).