3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline

C13H11ClF2N2O — CID 118180489

IUPAC3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline
SMILESC=CCC(F)(F)c1nc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C13H11ClF2N2O/c1-3-6-13(15,16)11-12(14)18-10-7-8(19-2)4-5-9(10)17-11/h3-5,7H,1,6H2,2H3
InChIKeyBPSVWHVEZIDAHQ-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.96
Rot. Bonds4

About 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline

3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline (PubChem CID 118180489) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline.

Molecular Properties

Compound Name3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline
PubChem CID118180489
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline
SMILESC=CCC(F)(F)c1nc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C13H11ClF2N2O/c1-3-6-13(15,16)11-12(14)18-10-7-8(19-2)4-5-9(10)17-11/h3-5,7H,1,6H2,2H3
InChIKeyBPSVWHVEZIDAHQ-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methoxyphenazine
CID 235279
Phenazine, 2-methoxy-, 10-oxide
CID 137753
7-Methoxy-1,2,3,4-tetrahydrophenazine
CID 2812779
2,3-Dichloro-6-methoxyquinoxaline
CID 684227
1,8-Dimethoxyphenazine
CID 4136929
3-Chloro-6-methoxy-2-methylsulfonylquinoxaline
CID 86055665
6-Methoxy-2,3-dimethylquinoxaline
CID 81137
2,3-Dimethoxyphenazine
CID 21679909
6-Methoxyquinoxaline
CID 241501
5-Quinoxalinamine, 6-methoxy-2,3-dimethyl-
CID 122603
2-Chloro-6-methoxy-3-methylsulfinylquinoxaline
CID 118726437
2-Chloro-6-methoxy-3-methylsulfanylquinoxaline
CID 86055858

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline?
The IUPAC name of 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline (CID 118180489) is 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline.
What is the SMILES notation for 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline?
The canonical SMILES for 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline is C=CCC(F)(F)c1nc2ccc(OC)cc2nc1Cl.
What is the InChIKey of 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline?
The InChIKey is BPSVWHVEZIDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-3-6-13(15,16)11-12(14)18-10-7-8(19-2)4-5-9(10)17-11/h3-5,7H,1,6H2,2H3.
What are the key properties of 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline?
3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline has a molecular weight of 284.69 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1,1-difluorobut-3-enyl)-6-methoxyquinoxaline is sourced from PubChem (CID 118180489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).