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

C36H28Cr2F8O10 — CID 139173869

IUPACbis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane
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.[Cr+2].[Cr+2]
InChIInChI=1S/4C7H4F2O2.2C4H8O.2Cr/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
InChIKeyXENYDEQRVUYDSI-UHFFFAOYSA-J
MW876.59 g/mol
LogP2.90
Rot. Bonds4

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

bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane (PubChem CID 139173869) has the molecular formula C36H28Cr2F8O10 and a molecular weight of 876.59 g/mol. Its IUPAC name is bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane.

Molecular Properties

Compound Namebis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane
PubChem CID139173869
Molecular FormulaC36H28Cr2F8O10
Molecular Weight876.59 g/mol
Exact Mass876.04
IUPAC Namebis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane
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.[Cr+2].[Cr+2]
InChIInChI=1S/4C7H4F2O2.2C4H8O.2Cr/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
InChIKeyXENYDEQRVUYDSI-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 ≤ 500876.59
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
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
[Fe3(O2Cbiph)6(THF)4]
CID 139141515
hexa-(3,5-difluorobenzoato-O,O')-hexacopper(I,I,I,I,I,I)
CID 139141702
Tetrakis(3-methylbenzoate);oxolane;bis(ruthenium(2+))
CID 139142715

Frequently Asked Questions

What is the IUPAC name of bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane?
The IUPAC name of bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane (CID 139173869) is bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane.
What is the SMILES notation for bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane?
The canonical SMILES for bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane 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.[Cr+2].[Cr+2].
What is the InChIKey of bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane?
The InChIKey is XENYDEQRVUYDSI-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H4F2O2.2C4H8O.2Cr/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 bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane?
bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane has a molecular weight of 876.59 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 bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane is sourced from PubChem (CID 139173869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).