bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate

C10H6F12MoO6 — CID 175688119

IUPACbis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
SMILESO.O.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mo+2]
InChIInChI=1S/2C5H2F6O2.Mo.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;;2*1H2/q;;+2;;/p-2/b2*2-1-;;;
InChIKeyJAMFKLCEOVQKOB-LJDKTGGESA-L
MW546.07 g/mol
LogP0.20
Rot. Bonds2

About bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate

bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate (PubChem CID 175688119) has the molecular formula C10H6F12MoO6 and a molecular weight of 546.07 g/mol. Its IUPAC name is bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate.

Molecular Properties

Compound Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
PubChem CID175688119
Molecular FormulaC10H6F12MoO6
Molecular Weight546.07 g/mol
Exact Mass547.90
IUPAC Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
SMILESO.O.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mo+2]
InChIInChI=1S/2C5H2F6O2.Mo.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;;2*1H2/q;;+2;;/p-2/b2*2-1-;;;
InChIKeyJAMFKLCEOVQKOB-LJDKTGGESA-L
XLogP0.20
TPSA143.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.07
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;hydrate
CID 44717257
strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 132989327
cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 102602232
CID 170999876
CID 170999876
cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 175687596
(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;(E)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;manganese(2+)
CID 50909026
CID 170997456
CID 170997456
oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139133359
copper(1+);ethenyl(trimethyl)silane;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 165360048
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
CID 91926473
magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate
CID 56776511
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569

Frequently Asked Questions

What is the IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate?
The IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate (CID 175688119) is bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate.
What is the SMILES notation for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate?
The canonical SMILES for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate is O.O.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mo+2].
What is the InChIKey of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate?
The InChIKey is JAMFKLCEOVQKOB-LJDKTGGESA-L. The full InChI is InChI=1S/2C5H2F6O2.Mo.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;;2*1H2/q;;+2;;/p-2/b2*2-1-;;;.
What are the key properties of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate?
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate has a molecular weight of 546.07 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate is sourced from PubChem (CID 175688119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).