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

C15H6F18O6Pr — CID 6174066

IUPACtris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium
SMILESO=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.[Pr]
InChIInChI=1S/3C5H2F6O2.Pr/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/b3*2-1-;
InChIKeyHUFWNMDLGJZHQM-JVUUZWNBSA-N
MW765.08 g/mol
LogP6.37
Rot. Bonds3

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

tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium (PubChem CID 6174066) has the molecular formula C15H6F18O6Pr and a molecular weight of 765.08 g/mol. Its IUPAC name is tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium.

Molecular Properties

Compound Nametris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium
PubChem CID6174066
Molecular FormulaC15H6F18O6Pr
Molecular Weight765.08 g/mol
Exact Mass764.90
IUPAC Nametris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium
SMILESO=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.[Pr]
InChIInChI=1S/3C5H2F6O2.Pr/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/b3*2-1-;
InChIKeyHUFWNMDLGJZHQM-JVUUZWNBSA-N
XLogP6.37
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.08
LogP ≤ 56.37
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);praseodymium?
The IUPAC name of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium (CID 6174066) is tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium.
What is the SMILES notation for tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium?
The canonical SMILES for tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium is 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.[Pr].
What is the InChIKey of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium?
The InChIKey is HUFWNMDLGJZHQM-JVUUZWNBSA-N. 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;/b3*2-1-;.
What are the key properties of tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium?
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium has a molecular weight of 765.08 g/mol, XLogP of 6.37, 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);praseodymium is sourced from PubChem (CID 6174066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).