2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine

C57H60F20N8O3 — CID 158496222

About 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine

2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine (PubChem CID 158496222) has the molecular formula C57H60F20N8O3 and a molecular weight of 1285.12 g/mol. Its IUPAC name is 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine.

Molecular Properties

• Compound Name: 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine
• PubChem CID: 158496222
• Molecular Formula: C57H60F20N8O3
• Molecular Weight: 1285.12 g/mol
• Exact Mass: 1284.45
• IUPAC Name: 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine
• SMILES: C/N=C(/c1ccc(Oc2ccc(/C(=N\C)C(F)(F)F)cc2)cc1)C(F)(F)F.C/N=C(C)/C(C)=N/C.C/N=C(\c1ccc(OCOc2ccc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1)C(F)(F)C(F)(F)C(F)(F)F.C/N=C1\CCCC\C1=N/C.C=C
• InChI: InChI=1S/C23H16F14N2O2.C18H14F6N2O.C8H14N2.C6H12N2.C2H4/c1-38-16(18(24,25)20(28,29)22(32,33)34)12-3-7-14(8-4-12)40-11-41-15-9-5-13(6-10-15)17(39-2)19(26,27)21(30,31)23(35,36)37;1-25-15(17(19,20)21)11-3-7-13(8-4-11)27-14-9-5-12(6-10-14)16(26-2)18(22,23)24;1-9-7-5-3-4-6-8(7)10-2;1-5(7-3)6(2)8-4;1-2/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-6H2,1-2H3;1-4H3;1-2H2/b38-16+,39-17+;25-15-,26-16+;9-7+,10-8+;7-5+,8-6+
• InChIKey: HJICMIPKAOFHMM-JKGHOHDESA-N
• XLogP: 16.72
• TPSA: 126.57 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1285.12
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine?

The IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine (CID 158496222) is 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine.

What is the SMILES notation for 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine?

The canonical SMILES for 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine is C/N=C(/c1ccc(Oc2ccc(/C(=N\C)C(F)(F)F)cc2)cc1)C(F)(F)F.C/N=C(C)/C(C)=N/C.C/N=C(\c1ccc(OCOc2ccc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1)C(F)(F)C(F)(F)C(F)(F)F.C/N=C1\CCCC\C1=N/C.C=C.

What is the InChIKey of 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine?

The InChIKey is HJICMIPKAOFHMM-JKGHOHDESA-N. The full InChI is InChI=1S/C23H16F14N2O2.C18H14F6N2O.C8H14N2.C6H12N2.C2H4/c1-38-16(18(24,25)20(28,29)22(32,33)34)12-3-7-14(8-4-12)40-11-41-15-9-5-13(6-10-15)17(39-2)19(26,27)21(30,31)23(35,36)37;1-25-15(17(19,20)21)11-3-7-13(8-4-11)27-14-9-5-12(6-10-14)16(26-2)18(22,23)24;1-9-7-5-3-4-6-8(7)10-2;1-5(7-3)6(2)8-4;1-2/h3-10H,11H2,1-2H3;3-10H,1-2H3;3-6H2,1-2H3;1-4H3;1-2H2/b38-16+,39-17+;25-15-,26-16+;9-7+,10-8+;7-5+,8-6+;.

What are the key properties of 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine?

2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine has a molecular weight of 1285.12 g/mol, XLogP of 16.72, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,3-N-dimethylbutane-2,3-diimine;1-N,2-N-dimethylcyclohexane-1,2-diimine;ethene;2,2,3,3,4,4,4-heptafluoro-1-[4-[[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenoxy]methoxy]phenyl]-N-methylbutan-1-imine;2,2,2-trifluoro-N-methyl-1-[4-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenoxy]phenyl]ethanimine is sourced from PubChem (CID 158496222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).