samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

C5H4F3O2Sm+2 — CID 15242750

IUPACsamarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.[Sm+3]
InChIInChI=1S/C5H5F3O2.Sm/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+3/p-1/b4-2-;
InChIKeyOPHLAYIFMBUCKH-MKHFZPSSSA-M
MW303.44 g/mol
LogP0.38
Rot. Bonds1

About samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate (PubChem CID 15242750) has the molecular formula C5H4F3O2Sm+2 and a molecular weight of 303.44 g/mol. Its IUPAC name is samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namesamarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
PubChem CID15242750
Molecular FormulaC5H4F3O2Sm+2
Molecular Weight303.44 g/mol
Exact Mass304.93
IUPAC Namesamarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.[Sm+3]
InChIInChI=1S/C5H5F3O2.Sm/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+3/p-1/b4-2-;
InChIKeyOPHLAYIFMBUCKH-MKHFZPSSSA-M
XLogP0.38
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

praseodymium(3+);1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 53395449
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569
indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 2775146
magnesium;bis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate);dihydrate
CID 56776511
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
CID 91926473
CID 170999876
CID 170999876
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
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

Frequently Asked Questions

What is the IUPAC name of samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The IUPAC name of samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate (CID 15242750) is samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate.
What is the SMILES notation for samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The canonical SMILES for samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate is CC(=O)/C=C(\[O-])C(F)(F)F.[Sm+3].
What is the InChIKey of samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The InChIKey is OPHLAYIFMBUCKH-MKHFZPSSSA-M. The full InChI is InChI=1S/C5H5F3O2.Sm/c1-3(9)2-4(10)5(6,7)8;/h2,10H,1H3;/q;+3/p-1/b4-2-;.
What are the key properties of samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate has a molecular weight of 303.44 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate is sourced from PubChem (CID 15242750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).