1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one

C12H14F2N2O — CID 82157548

IUPAC1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N2O/c1-4-16-10-6-8(14)7(13)5-9(10)15-12(2,3)11(16)17/h5-6,15H,4H2,1-3H3
InChIKeyJXVXVCKLKXDHPS-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.52
Rot. Bonds1

About 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one

1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one (PubChem CID 82157548) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
PubChem CID82157548
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N2O/c1-4-16-10-6-8(14)7(13)5-9(10)15-12(2,3)11(16)17/h5-6,15H,4H2,1-3H3
InChIKeyJXVXVCKLKXDHPS-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095324
6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
CID 82157550
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
CID 82157682
6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one
CID 82157688
5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115094893
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline
CID 69067678
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
6,6-dimethyl-8-(3-methylbutyl)-5H-[1,3]dioxolo[4,5-g]quinoxalin-7-one
CID 82157901
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one?
The IUPAC name of 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one (CID 82157548) is 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one?
The canonical SMILES for 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one is CCN1C(=O)C(C)(C)Nc2cc(F)c(F)cc21.
What is the InChIKey of 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one?
The InChIKey is JXVXVCKLKXDHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-4-16-10-6-8(14)7(13)5-9(10)15-12(2,3)11(16)17/h5-6,15H,4H2,1-3H3.
What are the key properties of 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one?
1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one has a molecular weight of 240.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one is sourced from PubChem (CID 82157548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).