8-(trifluoromethyl)-1H-quinoxalin-2-one

C9H5F3N2O — CID 71721268

IUPAC8-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESO=c1cnc2cccc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-2-1-3-6-8(5)14-7(15)4-13-6/h1-4H,(H,14,15)
InChIKeyKUMMDBIUAFLKTN-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.94
Rot. Bonds

About 8-(trifluoromethyl)-1H-quinoxalin-2-one

8-(trifluoromethyl)-1H-quinoxalin-2-one (PubChem CID 71721268) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-1H-quinoxalin-2-one
PubChem CID71721268
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name8-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESO=c1cnc2cccc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-2-1-3-6-8(5)14-7(15)4-13-6/h1-4H,(H,14,15)
InChIKeyKUMMDBIUAFLKTN-UHFFFAOYSA-N
XLogP1.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1H-quinoxalin-2-one?
The IUPAC name of 8-(trifluoromethyl)-1H-quinoxalin-2-one (CID 71721268) is 8-(trifluoromethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 8-(trifluoromethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 8-(trifluoromethyl)-1H-quinoxalin-2-one is O=c1cnc2cccc(C(F)(F)F)c2[nH]1.
What is the InChIKey of 8-(trifluoromethyl)-1H-quinoxalin-2-one?
The InChIKey is KUMMDBIUAFLKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)5-2-1-3-6-8(5)14-7(15)4-13-6/h1-4H,(H,14,15).
What are the key properties of 8-(trifluoromethyl)-1H-quinoxalin-2-one?
8-(trifluoromethyl)-1H-quinoxalin-2-one has a molecular weight of 214.15 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 71721268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).