oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)

C40H32F12O10Ru2 — CID 139142716

IUPACoxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.[Ru+2].[Ru+2]
InChIInChI=1S/4C8H5F3O2.2C4H8O.2Ru/c4*9-8(10,11)6-4-2-1-3-5(6)7(12)13;2*1-2-4-5-3-1;;/h4*1-4H,(H,12,13);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyDFKIACNAARCTGJ-UHFFFAOYSA-J
MW1102.80 g/mol
LogP5.86
Rot. Bonds4

About oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)

oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate) (PubChem CID 139142716) has the molecular formula C40H32F12O10Ru2 and a molecular weight of 1102.80 g/mol. Its IUPAC name is oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate).

Molecular Properties

Compound Nameoxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
PubChem CID139142716
Molecular FormulaC40H32F12O10Ru2
Molecular Weight1102.80 g/mol
Exact Mass1103.99
IUPAC Nameoxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.[Ru+2].[Ru+2]
InChIInChI=1S/4C8H5F3O2.2C4H8O.2Ru/c4*9-8(10,11)6-4-2-1-3-5(6)7(12)13;2*1-2-4-5-3-1;;/h4*1-4H,(H,12,13);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyDFKIACNAARCTGJ-UHFFFAOYSA-J
XLogP5.86
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.80
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Oxolane;bis(ruthenium(2+));bis(ruthenium(3+));octakis(2-(trifluoromethyl)benzoate);ditetrafluoroborate
CID 139142717
Tetrakis(2,6-bis(trifluoromethyl)benzoate);oxolane;tetrakis(ruthenium(2+));tetraacetate
CID 139168352
Bis(2,6-bis(trifluoromethyl)benzoate);oxolane;propanoate;bis(ruthenium(2+))
CID 139168353
Bis(2,6-bis(trifluoromethyl)benzoate);butanoate;oxolane;bis(ruthenium(2+))
CID 139168354
Bis(2,6-bis(trifluoromethyl)benzoate);oxolane;bis(pentanoate);bis(ruthenium(2+))
CID 139168355
Bis(2,6-bis(trifluoromethyl)benzoate);bis(2,2-dimethylpropanoate);oxolane;bis(ruthenium(2+))
CID 139168356
ethyl 2-[(E)-3,3,4,4,5,5,5-heptafluoro-2-[2-methoxy-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]pent-1-enyl]benzoate
CID 15019347
Tetrakis(2-benzofuran-1,3-dione);ethane;1,1,1,3,3,3-hexafluoro-2-methylpropane;pentane-2,4-dione
CID 157741642
Tetrakis(2-benzofuran-1,3-dione);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane
CID 160182235
Tetrakis(2-benzofuran-1,3-dione);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
CID 160183837
Tetrakis(2-benzofuran-1,3-dione);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
CID 161787311
Tetrakis(2-benzofuran-1,3-dione);1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;propane
CID 161983927

Frequently Asked Questions

What is the IUPAC name of oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)?
The IUPAC name of oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate) (CID 139142716) is oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate).
What is the SMILES notation for oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)?
The canonical SMILES for oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate) is C1CCOC1.C1CCOC1.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.[Ru+2].[Ru+2].
What is the InChIKey of oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)?
The InChIKey is DFKIACNAARCTGJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H5F3O2.2C4H8O.2Ru/c4*9-8(10,11)6-4-2-1-3-5(6)7(12)13;2*1-2-4-5-3-1;;/h4*1-4H,(H,12,13);2*1-4H2;;/q;;;;;;2*+2/p-4.
What are the key properties of oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)?
oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate) has a molecular weight of 1102.80 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate) is sourced from PubChem (CID 139142716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).