6,7-difluoro-4aH-quinoxalin-2-one

C8H4F2N2O — CID 78406984

IUPAC6,7-difluoro-4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=C(F)C(F)=CC2=N1
InChIInChI=1S/C8H4F2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3,6H
InChIKeyJTWDRWPMCHOTIF-UHFFFAOYSA-N
MW182.13 g/mol
LogP1.13
Rot. Bonds

About 6,7-difluoro-4aH-quinoxalin-2-one

6,7-difluoro-4aH-quinoxalin-2-one (PubChem CID 78406984) has the molecular formula C8H4F2N2O and a molecular weight of 182.13 g/mol. Its IUPAC name is 6,7-difluoro-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-4aH-quinoxalin-2-one
PubChem CID78406984
Molecular FormulaC8H4F2N2O
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name6,7-difluoro-4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=C(F)C(F)=CC2=N1
InChIInChI=1S/C8H4F2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3,6H
InChIKeyJTWDRWPMCHOTIF-UHFFFAOYSA-N
XLogP1.13
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4aH-quinoxalin-2-one
CID 73825725
7-fluoro-8-methyl-4aH-quinoxalin-2-one
CID 75094955
7-fluoro-4aH-1,5-naphthyridin-2-one
CID 75247395
6-fluoro-4aH-quinoxalin-2-one
CID 76844842
3-fluoro-4aH-quinoxalin-2-one
CID 76851270
5-fluoro-4aH-quinoxalin-2-one
CID 76851473
8-fluoro-4aH-quinoxalin-2-one
CID 76851632
7,8-difluoro-4aH-quinoxalin-2-one
CID 77232676
7-(trifluoromethyl)-4aH-quinoxalin-2-one
CID 85448757
(4aR)-7-fluoro-4aH-quinoxalin-2-one
CID 124662327
(4aS)-7-fluoro-4aH-quinoxalin-2-one
CID 124662328
7,8-difluoro-8H-quinoxalin-2-one
CID 178186356

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4aH-quinoxalin-2-one?
The IUPAC name of 6,7-difluoro-4aH-quinoxalin-2-one (CID 78406984) is 6,7-difluoro-4aH-quinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-4aH-quinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-4aH-quinoxalin-2-one is O=C1C=NC2C=C(F)C(F)=CC2=N1.
What is the InChIKey of 6,7-difluoro-4aH-quinoxalin-2-one?
The InChIKey is JTWDRWPMCHOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3,6H.
What are the key properties of 6,7-difluoro-4aH-quinoxalin-2-one?
6,7-difluoro-4aH-quinoxalin-2-one has a molecular weight of 182.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4aH-quinoxalin-2-one is sourced from PubChem (CID 78406984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).