7-(trifluoromethyl)-3H-quinoxalin-2-one

C9H5F3N2O — CID 119057457

IUPAC7-(trifluoromethyl)-3H-quinoxalin-2-one
SMILESO=C1CN=c2ccc(C(F)(F)F)cc2=N1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3H,4H2
InChIKeyBARXZPCJALXUOZ-UHFFFAOYSA-N
MW214.15 g/mol
LogP0.48
Rot. Bonds

About 7-(trifluoromethyl)-3H-quinoxalin-2-one

7-(trifluoromethyl)-3H-quinoxalin-2-one (PubChem CID 119057457) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-3H-quinoxalin-2-one
PubChem CID119057457
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name7-(trifluoromethyl)-3H-quinoxalin-2-one
SMILESO=C1CN=c2ccc(C(F)(F)F)cc2=N1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3H,4H2
InChIKeyBARXZPCJALXUOZ-UHFFFAOYSA-N
XLogP0.48
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Oxochinoxalin
CID 57169914
5-(Trifluoromethyl)-1,4-benzodiazepin-2-one
CID 53752135
3-(Trifluoromethyl)-1,4-benzodiazepin-2-one
CID 53860837
7-Chloro-5-(trifluoromethyl)quinoxaline-2,3-dione
CID 54230131
6-(Trifluoromethyl)quinoxaline-2,3-dione
CID 54314193
3-fluoro-3H-quinolin-2-one
CID 119086068
2,3-difluoro-2H-quinoline-3-carboxamide
CID 141386751
7-(Trifluoromethyl)-1,4-benzodiazepin-2-one
CID 153743194
5-(Trifluoromethyl)quinoxalin-4-ium-2,3-dione
CID 173312977
6-(Trifluoromethyl)-2,3-dihydroquinoxaline
CID 175068942
Benzo[g]quinoxalinedione
CID 85280093
6-fluoro-3H-quinoxalin-2-one
CID 71773273

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3H-quinoxalin-2-one?
The IUPAC name of 7-(trifluoromethyl)-3H-quinoxalin-2-one (CID 119057457) is 7-(trifluoromethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 7-(trifluoromethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 7-(trifluoromethyl)-3H-quinoxalin-2-one is O=C1CN=c2ccc(C(F)(F)F)cc2=N1.
What is the InChIKey of 7-(trifluoromethyl)-3H-quinoxalin-2-one?
The InChIKey is BARXZPCJALXUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3H,4H2.
What are the key properties of 7-(trifluoromethyl)-3H-quinoxalin-2-one?
7-(trifluoromethyl)-3H-quinoxalin-2-one has a molecular weight of 214.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 119057457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).