quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone

C15H7F3N2O — CID 107356717

IUPACquinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cnc2ccccc2n1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H7F3N2O/c16-9-6-5-8(13(17)14(9)18)15(21)12-7-19-10-3-1-2-4-11(10)20-12/h1-7H
InChIKeyKEVOGXXOYAAFDE-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.28
Rot. Bonds2

About quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone

quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone (PubChem CID 107356717) has the molecular formula C15H7F3N2O and a molecular weight of 288.23 g/mol. Its IUPAC name is quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Namequinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone
PubChem CID107356717
Molecular FormulaC15H7F3N2O
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Namequinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cnc2ccccc2n1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H7F3N2O/c16-9-6-5-8(13(17)14(9)18)15(21)12-7-19-10-3-1-2-4-11(10)20-12/h1-7H
InChIKeyKEVOGXXOYAAFDE-UHFFFAOYSA-N
XLogP3.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone (CID 107356717) is quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone is O=C(c1cnc2ccccc2n1)c1ccc(F)c(F)c1F.
What is the InChIKey of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
The InChIKey is KEVOGXXOYAAFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N2O/c16-9-6-5-8(13(17)14(9)18)15(21)12-7-19-10-3-1-2-4-11(10)20-12/h1-7H.
What are the key properties of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone has a molecular weight of 288.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 107356717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).