indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)

C15H12F9InO6 — CID 2775146

IUPACindium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
SMILESCC(=O)C=C([O-])C(F)(F)F.CC(=O)C=C([O-])C(F)(F)F.CC(=O)C=C([O-])C(F)(F)F.[In+3]
InChIInChI=1S/3C5H5F3O2.In/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,10H,1H3;/q;;;+3/p-3
InChIKeyQDQYHGMMVDROAK-UHFFFAOYSA-K
MW574.06 g/mol
LogP0.76
Rot. Bonds3

About indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)

indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate) (PubChem CID 2775146) has the molecular formula C15H12F9InO6 and a molecular weight of 574.06 g/mol. Its IUPAC name is indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Nameindium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
PubChem CID2775146
Molecular FormulaC15H12F9InO6
Molecular Weight574.06 g/mol
Exact Mass573.95
IUPAC Nameindium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
SMILESCC(=O)C=C([O-])C(F)(F)F.CC(=O)C=C([O-])C(F)(F)F.CC(=O)C=C([O-])C(F)(F)F.[In+3]
InChIInChI=1S/3C5H5F3O2.In/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,10H,1H3;/q;;;+3/p-3
InChIKeyQDQYHGMMVDROAK-UHFFFAOYSA-K
XLogP0.76
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.06
LogP ≤ 50.76
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'}

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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
samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 15242750
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 170997456
CID 170997456
cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 102602232
CID 170999876
CID 170999876
cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 175687596
strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 132989327
(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
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
CID 175688119

Frequently Asked Questions

What is the IUPAC name of indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
The IUPAC name of indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate) (CID 2775146) is indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate).
What is the SMILES notation for indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
The canonical SMILES for indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate) is CC(=O)C=C([O-])C(F)(F)F.CC(=O)C=C([O-])C(F)(F)F.CC(=O)C=C([O-])C(F)(F)F.[In+3].
What is the InChIKey of indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
The InChIKey is QDQYHGMMVDROAK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H5F3O2.In/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,10H,1H3;/q;;;+3/p-3.
What are the key properties of indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate)?
indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate) has a molecular weight of 574.06 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for indium(3+);tris(1,1,1-trifluoro-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 2775146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).