tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium

C15H3F18O6Pr — CID 136623042

IUPACtris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium
SMILESO=C(/C=C(\O[Pr](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)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C5H2F6O2.Pr/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-;
InChIKeyDZKLJDHTCKKFRF-JVUUZWNBSA-K
MW762.05 g/mol
LogP6.13
Rot. Bonds9

About tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium

tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium (PubChem CID 136623042) has the molecular formula C15H3F18O6Pr and a molecular weight of 762.05 g/mol. Its IUPAC name is tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium.

Molecular Properties

Compound Nametris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium
PubChem CID136623042
Molecular FormulaC15H3F18O6Pr
Molecular Weight762.05 g/mol
Exact Mass761.87
IUPAC Nametris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium
SMILESO=C(/C=C(\O[Pr](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)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C5H2F6O2.Pr/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-;
InChIKeyDZKLJDHTCKKFRF-JVUUZWNBSA-K
XLogP6.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.05
LogP ≤ 56.13
H-Bond Donors ≤ 50
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-oxopent-2-en-2-yl]oxy]praseodymium 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-oxopent-2-en-2-yl]oxy]praseodymium?
The IUPAC name of tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium (CID 136623042) is tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium.
What is the SMILES notation for tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium?
The canonical SMILES for tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium is O=C(/C=C(\O[Pr](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)C(F)(F)F)C(F)(F)F.
What is the InChIKey of tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium?
The InChIKey is DZKLJDHTCKKFRF-JVUUZWNBSA-K. The full InChI is InChI=1S/3C5H2F6O2.Pr/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-;.
What are the key properties of tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium?
tris[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]praseodymium has a molecular weight of 762.05 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 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-oxopent-2-en-2-yl]oxy]praseodymium is sourced from PubChem (CID 136623042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).