1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one

C15H9F3N2O2 — CID 68640570

IUPAC1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)22-11-5-3-4-10(8-11)20-13-7-2-1-6-12(13)19-9-14(20)21/h1-9H
InChIKeyXKLDTGFRJASGPF-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.28
Rot. Bonds2

About 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one

1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one (PubChem CID 68640570) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one
PubChem CID68640570
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)22-11-5-3-4-10(8-11)20-13-7-2-1-6-12(13)19-9-14(20)21/h1-9H
InChIKeyXKLDTGFRJASGPF-UHFFFAOYSA-N
XLogP3.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one (CID 68640570) is 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one is O=c1cnc2ccccc2n1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one?
The InChIKey is XKLDTGFRJASGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)22-11-5-3-4-10(8-11)20-13-7-2-1-6-12(13)19-9-14(20)21/h1-9H.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one?
1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one has a molecular weight of 306.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one is sourced from PubChem (CID 68640570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).