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

C15H8F18O7Y — CID 22836400

IUPACtris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate
SMILESO.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.[Y]
InChIInChI=1S/3C5H2F6O2.H2O.Y/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h3*1,12H;1H2;/b3*2-1-;;
InChIKeyRKDJDZGTQMDCNG-AHUNZLEGSA-N
MW731.09 g/mol
LogP5.54
Rot. Bonds3

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

tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate (PubChem CID 22836400) has the molecular formula C15H8F18O7Y and a molecular weight of 731.09 g/mol. Its IUPAC name is tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate.

Molecular Properties

Compound Nametris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate
PubChem CID22836400
Molecular FormulaC15H8F18O7Y
Molecular Weight731.09 g/mol
Exact Mass730.90
IUPAC Nametris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate
SMILESO.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.[Y]
InChIInChI=1S/3C5H2F6O2.H2O.Y/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h3*1,12H;1H2;/b3*2-1-;;
InChIKeyRKDJDZGTQMDCNG-AHUNZLEGSA-N
XLogP5.54
TPSA143.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.09
LogP ≤ 55.54
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'}

Analyze tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate?
The IUPAC name of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate (CID 22836400) is tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate.
What is the SMILES notation for tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate?
The canonical SMILES for tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate is 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.[Y].
What is the InChIKey of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate?
The InChIKey is RKDJDZGTQMDCNG-AHUNZLEGSA-N. The full InChI is InChI=1S/3C5H2F6O2.H2O.Y/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h3*1,12H;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);yttrium;hydrate?
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);yttrium;hydrate has a molecular weight of 731.09 g/mol, XLogP of 5.54, 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);yttrium;hydrate is sourced from PubChem (CID 22836400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).