dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C86H76F6I4K2N8O15 — CID 157365826

About dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 157365826) has the molecular formula C86H76F6I4K2N8O15 and a molecular weight of 2161.39 g/mol. Its IUPAC name is dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• PubChem CID: 157365826
• Molecular Formula: C86H76F6I4K2N8O15
• Molecular Weight: 2161.39 g/mol
• Exact Mass: 2160.08
• IUPAC Name: dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• SMILES: CC(=O)N1c2ccccc2Oc2ccc(F)cc21.CC(=O)Nc1cc(F)ccc1Oc1ccccc1I.CN[C@@H]1CCCC[C@H]1NC.Cc1ccc2c(c1)Nc1ccccc1O2.Nc1cc(F)ccc1Oc1ccccc1I.O=CO[O-].O=[N+]([O-])c1cc(F)ccc1F.O=[N+]([O-])c1cc(F)ccc1Oc1ccccc1I.Oc1ccccc1I.[H-].[K+].[K+]
• InChI: InChI=1S/C14H11FINO2.C14H10FNO2.C13H11NO.C12H7FINO3.C12H9FINO.C8H18N2.C6H3F2NO2.C6H5IO.CH2O3.2K.H/c1-9(18)17-12-8-10(15)6-7-14(12)19-13-5-3-2-4-11(13)16;1-9(17)16-11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16;1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)15-13;13-8-5-6-12(10(7-8)15(16)17)18-11-4-2-1-3-9(11)14;13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14;1-9-7-5-3-4-6-8(7)10-2;7-4-1-2-5(8)6(3-4)9(10)11;7-5-3-1-2-4-6(5)8;2-1-4-3;;;/h2-8H,1H3,(H,17,18);2-8H,1H3;2-8,14H,1H3;1-7H;1-7H,15H2;7-10H,3-6H2,1-2H3;1-3H;1-4,8H;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1/t;;;;;7-,8-;;;;;;/m.....1....../s1
• InChIKey: RYCPFTFXDYIZNV-YIQMJURUSA-M
• XLogP: 16.74
• TPSA: 313.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2161.39
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The IUPAC name of dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 157365826) is dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

What is the SMILES notation for dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The canonical SMILES for dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CC(=O)N1c2ccccc2Oc2ccc(F)cc21.CC(=O)Nc1cc(F)ccc1Oc1ccccc1I.CN[C@@H]1CCCC[C@H]1NC.Cc1ccc2c(c1)Nc1ccccc1O2.Nc1cc(F)ccc1Oc1ccccc1I.O=CO[O-].O=[N+]([O-])c1cc(F)ccc1F.O=[N+]([O-])c1cc(F)ccc1Oc1ccccc1I.Oc1ccccc1I.[H-].[K+].[K+].

What is the InChIKey of dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The InChIKey is RYCPFTFXDYIZNV-YIQMJURUSA-M. The full InChI is InChI=1S/C14H11FINO2.C14H10FNO2.C13H11NO.C12H7FINO3.C12H9FINO.C8H18N2.C6H3F2NO2.C6H5IO.CH2O3.2K.H/c1-9(18)17-12-8-10(15)6-7-14(12)19-13-5-3-2-4-11(13)16;1-9(17)16-11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16;1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)15-13;13-8-5-6-12(10(7-8)15(16)17)18-11-4-2-1-3-9(11)14;13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14;1-9-7-5-3-4-6-8(7)10-2;7-4-1-2-5(8)6(3-4)9(10)11;7-5-3-1-2-4-6(5)8;2-1-4-3;;;/h2-8H,1H3,(H,17,18);2-8H,1H3;2-8,14H,1H3;1-7H;1-7H,15H2;7-10H,3-6H2,1-2H3;1-3H;1-4,8H;1,3H;;;/q;;;;;;;;;2*+1;-1/p-1/t;;;;;7-,8-;;;;;;/m.....1....../s1.

What are the key properties of dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 2161.39 g/mol, XLogP of 16.74, 12 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1,4-difluoro-2-nitrobenzene;5-fluoro-2-(2-iodophenoxy)aniline;4-fluoro-1-(2-iodophenoxy)-2-nitrobenzene;N-[5-fluoro-2-(2-iodophenoxy)phenyl]acetamide;1-(2-fluorophenoxazin-10-yl)ethanone;hydride;2-iodophenol;2-methyl-10H-phenoxazine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 157365826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).