1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one

C16H11F3N2O — CID 9441925

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-6-2-1-5-11(12)10-21-14-8-4-3-7-13(14)20-9-15(21)22/h1-9H,10H2
InChIKeyXCNJDOCODWUFIG-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.46
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one

1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one (PubChem CID 9441925) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one
PubChem CID9441925
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-6-2-1-5-11(12)10-21-14-8-4-3-7-13(14)20-9-15(21)22/h1-9H,10H2
InChIKeyXCNJDOCODWUFIG-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one (CID 9441925) is 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one is O=c1cnc2ccccc2n1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one?
The InChIKey is XCNJDOCODWUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)12-6-2-1-5-11(12)10-21-14-8-4-3-7-13(14)20-9-15(21)22/h1-9H,10H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one?
1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one has a molecular weight of 304.27 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]quinoxalin-2-one is sourced from PubChem (CID 9441925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).