phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone

C16H9F3N2O — CID 53248498

IUPACphenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone
SMILESO=C(c1ccccc1)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C16H9F3N2O/c17-16(18,19)15-13(14(22)10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)21-15/h1-9H
InChIKeyXXAUMLOTDPHNOM-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.88
Rot. Bonds2

About phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone

phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone (PubChem CID 53248498) has the molecular formula C16H9F3N2O and a molecular weight of 302.25 g/mol. Its IUPAC name is phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone
PubChem CID53248498
Molecular FormulaC16H9F3N2O
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Namephenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone
SMILESO=C(c1ccccc1)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C16H9F3N2O/c17-16(18,19)15-13(14(22)10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)21-15/h1-9H
InChIKeyXXAUMLOTDPHNOM-UHFFFAOYSA-N
XLogP3.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone?
The IUPAC name of phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone (CID 53248498) is phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone.
What is the SMILES notation for phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone?
The canonical SMILES for phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone is O=C(c1ccccc1)c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone?
The InChIKey is XXAUMLOTDPHNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O/c17-16(18,19)15-13(14(22)10-6-2-1-3-7-10)20-11-8-4-5-9-12(11)21-15/h1-9H.
What are the key properties of phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone?
phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone has a molecular weight of 302.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(trifluoromethyl)quinoxalin-2-yl]methanone is sourced from PubChem (CID 53248498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).