6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline

C16H10F3N3O4 — CID 166065924

IUPAC6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline
SMILESCOc1cc(F)c([N+](=O)[O-])cc1OCc1c(F)c(F)cc2nccnc12
InChIInChI=1S/C16H10F3N3O4/c1-25-13-5-9(17)12(22(23)24)6-14(13)26-7-8-15(19)10(18)4-11-16(8)21-3-2-20-11/h2-6H,7H2,1H3
InChIKeyIKVHFUGDYJEHEX-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.54
Rot. Bonds5

About 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline

6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline (PubChem CID 166065924) has the molecular formula C16H10F3N3O4 and a molecular weight of 365.27 g/mol. Its IUPAC name is 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline.

Molecular Properties

Compound Name6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline
PubChem CID166065924
Molecular FormulaC16H10F3N3O4
Molecular Weight365.27 g/mol
Exact Mass365.06
IUPAC Name6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline
SMILESCOc1cc(F)c([N+](=O)[O-])cc1OCc1c(F)c(F)cc2nccnc12
InChIInChI=1S/C16H10F3N3O4/c1-25-13-5-9(17)12(22(23)24)6-14(13)26-7-8-15(19)10(18)4-11-16(8)21-3-2-20-11/h2-6H,7H2,1H3
InChIKeyIKVHFUGDYJEHEX-UHFFFAOYSA-N
XLogP3.54
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
CID 166065865
1-chloro-8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]isoquinoline
CID 166065840
5-chloro-8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]isoquinoline
CID 166065720
2-[[4-(bromomethyl)-2-methoxy-5-nitrophenoxy]methyl]pyrimidine
CID 62699573
4-chloro-7-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 166065842
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
CID 112720413
1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
CID 57346293
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene
CID 13281435
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
CID 131610488
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline?
The IUPAC name of 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline (CID 166065924) is 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline.
What is the SMILES notation for 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline?
The canonical SMILES for 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline is COc1cc(F)c([N+](=O)[O-])cc1OCc1c(F)c(F)cc2nccnc12.
What is the InChIKey of 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline?
The InChIKey is IKVHFUGDYJEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O4/c1-25-13-5-9(17)12(22(23)24)6-14(13)26-7-8-15(19)10(18)4-11-16(8)21-3-2-20-11/h2-6H,7H2,1H3.
What are the key properties of 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline?
6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline has a molecular weight of 365.27 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline is sourced from PubChem (CID 166065924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).