tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane

C36H32F4Mo2O10 — CID 139044828

IUPACtetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.[Mo+2].[Mo+2]
InChIInChI=1S/4C7H5FO2.2C4H8O.2Mo/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-5-3-1;;/h4*1-4H,(H,9,10);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyNBZWHKDLQFJXNT-UHFFFAOYSA-J
MW892.51 g/mol
LogP2.35
Rot. Bonds4

About tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane

tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane (PubChem CID 139044828) has the molecular formula C36H32F4Mo2O10 and a molecular weight of 892.51 g/mol. Its IUPAC name is tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane.

Molecular Properties

Compound Nametetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane
PubChem CID139044828
Molecular FormulaC36H32F4Mo2O10
Molecular Weight892.51 g/mol
Exact Mass896.00
IUPAC Nametetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.[Mo+2].[Mo+2]
InChIInChI=1S/4C7H5FO2.2C4H8O.2Mo/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-5-3-1;;/h4*1-4H,(H,9,10);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyNBZWHKDLQFJXNT-UHFFFAOYSA-J
XLogP2.35
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500892.51
LogP ≤ 52.35
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
Bis(4-ethenylbenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044573
Bis(4-fluorobenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044824
[Mo2(O2C-Ph-p-Cl)4],2(THF)
CID 139044829
Mo2(O O C C6 F5)4
CID 139081972
Dicopper;tetrakis(4-benzoylbenzoate);oxolane
CID 139094511
Oxolane;bis(ruthenium(2+));tetrabenzoate
CID 139130503
Tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))
CID 139130504
[Fe3(O2Cbiph)6(THF)4]
CID 139141515

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane?
The IUPAC name of tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane (CID 139044828) is tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane.
What is the SMILES notation for tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane?
The canonical SMILES for tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane is C1CCOC1.C1CCOC1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.[Mo+2].[Mo+2].
What is the InChIKey of tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane?
The InChIKey is NBZWHKDLQFJXNT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5FO2.2C4H8O.2Mo/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-5-3-1;;/h4*1-4H,(H,9,10);2*1-4H2;;/q;;;;;;2*+2/p-4.
What are the key properties of tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane?
tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane has a molecular weight of 892.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-fluorobenzoate);bis(molybdenum(2+));oxolane is sourced from PubChem (CID 139044828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).