tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))

C36H28F8O10Ru2 — CID 139166055

IUPACtetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.[Ru+2].[Ru+2]
InChIInChI=1S/4C7H4F2O2.2C4H8O.2Ru/c4*8-5-3-1-2-4(6(5)9)7(10)11;2*1-2-4-5-3-1;;/h4*1-3H,(H,10,11);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyJGIKAGLTJWFACP-UHFFFAOYSA-J
MW974.73 g/mol
LogP2.90
Rot. Bonds4

About tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))

tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+)) (PubChem CID 139166055) has the molecular formula C36H28F8O10Ru2 and a molecular weight of 974.73 g/mol. Its IUPAC name is tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+)).

Molecular Properties

Compound Nametetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))
PubChem CID139166055
Molecular FormulaC36H28F8O10Ru2
Molecular Weight974.73 g/mol
Exact Mass975.96
IUPAC Nametetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.[Ru+2].[Ru+2]
InChIInChI=1S/4C7H4F2O2.2C4H8O.2Ru/c4*8-5-3-1-2-4(6(5)9)7(10)11;2*1-2-4-5-3-1;;/h4*1-3H,(H,10,11);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyJGIKAGLTJWFACP-UHFFFAOYSA-J
XLogP2.90
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500974.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
CID 139142716
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);butanoate;oxolane;bis(ruthenium(2+))
CID 139168354
Bis(2,6-bis(trifluoromethyl)benzoate);oxolane;bis(pentanoate);bis(ruthenium(2+))
CID 139168355
Dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
CID 139036983
dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)
CID 139042107
Bis(4-fluorobenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044824
[Mo2(O2C-Ph-p-F)4],2THF
CID 139044828
Mo2(O O C C6 F5)4
CID 139081972
Oxolane;bis(ruthenium(2+));tetrabenzoate
CID 139130503
Tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))
CID 139130504

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))?
The IUPAC name of tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+)) (CID 139166055) is tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+)).
What is the SMILES notation for tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))?
The canonical SMILES for tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+)) is C1CCOC1.C1CCOC1.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.O=C([O-])c1cccc(F)c1F.[Ru+2].[Ru+2].
What is the InChIKey of tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))?
The InChIKey is JGIKAGLTJWFACP-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H4F2O2.2C4H8O.2Ru/c4*8-5-3-1-2-4(6(5)9)7(10)11;2*1-2-4-5-3-1;;/h4*1-3H,(H,10,11);2*1-4H2;;/q;;;;;;2*+2/p-4.
What are the key properties of tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))?
tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+)) has a molecular weight of 974.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+)) is sourced from PubChem (CID 139166055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).