5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline

C14H13FN2O2 — CID 18726746

IUPAC5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline
SMILESCOc1nc2cc(C)c(C)c(C#CF)c2nc1OC
InChIInChI=1S/C14H13FN2O2/c1-8-7-11-12(10(5-6-15)9(8)2)17-14(19-4)13(16-11)18-3/h7H,1-4H3
InChIKeyBVFNNFBXNQWADW-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.54
Rot. Bonds2

About 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline

5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline (PubChem CID 18726746) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline.

Molecular Properties

Compound Name5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline
PubChem CID18726746
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline
SMILESCOc1nc2cc(C)c(C)c(C#CF)c2nc1OC
InChIInChI=1S/C14H13FN2O2/c1-8-7-11-12(10(5-6-15)9(8)2)17-14(19-4)13(16-11)18-3/h7H,1-4H3
InChIKeyBVFNNFBXNQWADW-UHFFFAOYSA-N
XLogP2.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline?
The IUPAC name of 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline (CID 18726746) is 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline.
What is the SMILES notation for 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline?
The canonical SMILES for 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline is COc1nc2cc(C)c(C)c(C#CF)c2nc1OC.
What is the InChIKey of 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline?
The InChIKey is BVFNNFBXNQWADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-7-11-12(10(5-6-15)9(8)2)17-14(19-4)13(16-11)18-3/h7H,1-4H3.
What are the key properties of 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline?
5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline has a molecular weight of 260.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethynyl)-2,3-dimethoxy-6,7-dimethylquinoxaline is sourced from PubChem (CID 18726746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).