tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate

C15H10F18O8Yb — CID 138375745

IUPACtris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;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.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Yb]
InChIInChI=1S/3C5H2F6O2.2H2O.Yb/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h3*1,12H;2*1H2;/b3*2-1-;;;
InChIKeyAGWWHEDMKKKXIR-OHYMPEQPSA-N
MW833.24 g/mol
LogP4.72
Rot. Bonds3

About tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate

tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate (PubChem CID 138375745) has the molecular formula C15H10F18O8Yb and a molecular weight of 833.24 g/mol. Its IUPAC name is tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate.

Molecular Properties

Compound Nametris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate
PubChem CID138375745
Molecular FormulaC15H10F18O8Yb
Molecular Weight833.24 g/mol
Exact Mass833.95
IUPAC Nametris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;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.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Yb]
InChIInChI=1S/3C5H2F6O2.2H2O.Yb/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h3*1,12H;2*1H2;/b3*2-1-;;;
InChIKeyAGWWHEDMKKKXIR-OHYMPEQPSA-N
XLogP4.72
TPSA174.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500833.24
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate?
The IUPAC name of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate (CID 138375745) is tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate.
What is the SMILES notation for tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate?
The canonical SMILES for tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;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.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Yb].
What is the InChIKey of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate?
The InChIKey is AGWWHEDMKKKXIR-OHYMPEQPSA-N. The full InChI is InChI=1S/3C5H2F6O2.2H2O.Yb/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h3*1,12H;2*1H2;/b3*2-1-;;;.
What are the key properties of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate?
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate has a molecular weight of 833.24 g/mol, XLogP of 4.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate is sourced from PubChem (CID 138375745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).