[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium

C5H4F3O2Tl — CID 71310203

IUPAC[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium
SMILESC/C(=C\C(=O)C(F)(F)F)O[Tl]
InChIInChI=1S/C5H5F3O2.Tl/c1-3(9)2-4(10)5(6,7)8;/h2,9H,1H3;/q;+1/p-1/b3-2+;
InChIKeyOIDHRVWTLISQKC-SQQVDAMQSA-M
MW357.46 g/mol
LogP1.12
Rot. Bonds2

About [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium

[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium (PubChem CID 71310203) has the molecular formula C5H4F3O2Tl and a molecular weight of 357.46 g/mol. Its IUPAC name is [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium.

Molecular Properties

Compound Name[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium
PubChem CID71310203
Molecular FormulaC5H4F3O2Tl
Molecular Weight357.46 g/mol
Exact Mass357.99
IUPAC Name[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium
SMILESC/C(=C\C(=O)C(F)(F)F)O[Tl]
InChIInChI=1S/C5H5F3O2.Tl/c1-3(9)2-4(10)5(6,7)8;/h2,9H,1H3;/q;+1/p-1/b3-2+;
InChIKeyOIDHRVWTLISQKC-SQQVDAMQSA-M
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.12
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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Frequently Asked Questions

What is the IUPAC name of [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium?
The IUPAC name of [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium (CID 71310203) is [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium.
What is the SMILES notation for [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium?
The canonical SMILES for [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium is C/C(=C\C(=O)C(F)(F)F)O[Tl].
What is the InChIKey of [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium?
The InChIKey is OIDHRVWTLISQKC-SQQVDAMQSA-M. The full InChI is InChI=1S/C5H5F3O2.Tl/c1-3(9)2-4(10)5(6,7)8;/h2,9H,1H3;/q;+1/p-1/b3-2+;.
What are the key properties of [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium?
[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium has a molecular weight of 357.46 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]oxythallium is sourced from PubChem (CID 71310203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).