1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)

C40H41F15N4O12Rf4 — CID 160725269

IUPAC1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)
SMILESCCCOCC(F)(F)OC(F)(F)COCC(F)(F)OC(F)(F)COCC(F)(F)OC(F)(F)C(F)(F)F.CCN(c1nc(Cc2cc(O)ccc2O)nc(Cc2cc(O)ccc2O)n1)c1cc(O)ccc1O.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C25H24N4O6.C15H17F15O6.4Rf/c1-2-29(19-13-18(32)5-8-22(19)35)25-27-23(11-14-9-16(30)3-6-20(14)33)26-24(28-25)12-15-10-17(31)4-7-21(15)34;1-2-3-31-4-9(16,17)34-10(18,19)5-32-6-11(20,21)35-12(22,23)7-33-8-13(24,25)36-15(29,30)14(26,27)28;;;;/h3-10,13,30-35H,2,11-12H2,1H3;2-8H2,1H3;;;;
InChIKeyVZPORTPAADARNK-UHFFFAOYSA-N
MW2122.75 g/mol
LogP9.06
Rot. Bonds25

About 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)

1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium) (PubChem CID 160725269) has the molecular formula C40H41F15N4O12Rf4 and a molecular weight of 2122.75 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium).

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)
PubChem CID160725269
Molecular FormulaC40H41F15N4O12Rf4
Molecular Weight2122.75 g/mol
Exact Mass2122.73
IUPAC Name1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)
SMILESCCCOCC(F)(F)OC(F)(F)COCC(F)(F)OC(F)(F)COCC(F)(F)OC(F)(F)C(F)(F)F.CCN(c1nc(Cc2cc(O)ccc2O)nc(Cc2cc(O)ccc2O)n1)c1cc(O)ccc1O.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C25H24N4O6.C15H17F15O6.4Rf/c1-2-29(19-13-18(32)5-8-22(19)35)25-27-23(11-14-9-16(30)3-6-20(14)33)26-24(28-25)12-15-10-17(31)4-7-21(15)34;1-2-3-31-4-9(16,17)34-10(18,19)5-32-6-11(20,21)35-12(22,23)7-33-8-13(24,25)36-15(29,30)14(26,27)28;;;;/h3-10,13,30-35H,2,11-12H2,1H3;2-8H2,1H3;;;;
InChIKeyVZPORTPAADARNK-UHFFFAOYSA-N
XLogP9.06
TPSA218.67 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002122.75
LogP ≤ 59.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)?
The IUPAC name of 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium) (CID 160725269) is 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium).
What is the SMILES notation for 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)?
The canonical SMILES for 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium) is CCCOCC(F)(F)OC(F)(F)COCC(F)(F)OC(F)(F)COCC(F)(F)OC(F)(F)C(F)(F)F.CCN(c1nc(Cc2cc(O)ccc2O)nc(Cc2cc(O)ccc2O)n1)c1cc(O)ccc1O.[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)?
The InChIKey is VZPORTPAADARNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6.C15H17F15O6.4Rf/c1-2-29(19-13-18(32)5-8-22(19)35)25-27-23(11-14-9-16(30)3-6-20(14)33)26-24(28-25)12-15-10-17(31)4-7-21(15)34;1-2-3-31-4-9(16,17)34-10(18,19)5-32-6-11(20,21)35-12(22,23)7-33-8-13(24,25)36-15(29,30)14(26,27)28;;;;/h3-10,13,30-35H,2,11-12H2,1H3;2-8H2,1H3;;;;.
What are the key properties of 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium)?
1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium) has a molecular weight of 2122.75 g/mol, XLogP of 9.06, 25 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]propane;2-[[4-[(2,5-dihydroxyphenyl)methyl]-6-(N-ethyl-2,5-dihydroxyanilino)-1,3,5-triazin-2-yl]methyl]benzene-1,4-diol;tetrakis(rutherfordium) is sourced from PubChem (CID 160725269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).