7-(trifluoromethyl)-4aH-quinoxalin-2-one

C9H5F3N2O — CID 85448757

IUPAC7-(trifluoromethyl)-4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=CC(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/h1-4,6H
InChIKeyACWHJHDGDDVBPB-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.47
Rot. Bonds

About 7-(trifluoromethyl)-4aH-quinoxalin-2-one

7-(trifluoromethyl)-4aH-quinoxalin-2-one (PubChem CID 85448757) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-4aH-quinoxalin-2-one
PubChem CID85448757
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name7-(trifluoromethyl)-4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=CC(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/h1-4,6H
InChIKeyACWHJHDGDDVBPB-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4aH-quinoxalin-2-one?
The IUPAC name of 7-(trifluoromethyl)-4aH-quinoxalin-2-one (CID 85448757) is 7-(trifluoromethyl)-4aH-quinoxalin-2-one.
What is the SMILES notation for 7-(trifluoromethyl)-4aH-quinoxalin-2-one?
The canonical SMILES for 7-(trifluoromethyl)-4aH-quinoxalin-2-one is O=C1C=NC2C=CC(C(F)(F)F)=CC2=N1.
What is the InChIKey of 7-(trifluoromethyl)-4aH-quinoxalin-2-one?
The InChIKey is ACWHJHDGDDVBPB-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/h1-4,6H.
What are the key properties of 7-(trifluoromethyl)-4aH-quinoxalin-2-one?
7-(trifluoromethyl)-4aH-quinoxalin-2-one has a molecular weight of 214.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-4aH-quinoxalin-2-one is sourced from PubChem (CID 85448757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).