carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone

C17H12EuF3O2- — CID 20798412

IUPACcarbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
SMILESO=C(c1ccc2cc3ccccc3cc2c1O)C(F)(F)F.[CH3-].[Eu]
InChIInChI=1S/C16H9F3O2.CH3.Eu/c17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;;/h1-8,20H;1H3;/q;-1;
InChIKeyATPPSVZEPCSKLJ-UHFFFAOYSA-N
MW457.24 g/mol
LogP4.89
Rot. Bonds1

About carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone

carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone (PubChem CID 20798412) has the molecular formula C17H12EuF3O2- and a molecular weight of 457.24 g/mol. Its IUPAC name is carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone.

Molecular Properties

Compound Namecarbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
PubChem CID20798412
Molecular FormulaC17H12EuF3O2-
Molecular Weight457.24 g/mol
Exact Mass458.00
IUPAC Namecarbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
SMILESO=C(c1ccc2cc3ccccc3cc2c1O)C(F)(F)F.[CH3-].[Eu]
InChIInChI=1S/C16H9F3O2.CH3.Eu/c17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;;/h1-8,20H;1H3;/q;-1;
InChIKeyATPPSVZEPCSKLJ-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

CID 89262500
CID 89262500
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
1-anthracen-1-yl-4,4,4-trifluorobutane-1,3-dione
CID 87129349
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone
CID 177471607
disodium bis(anthracene-1-carboxylate)
CID 155667370
2-phenylanthracen-1-ol
CID 54315343
1-(2-aminoanthracen-1-yl)-2-methylprop-2-en-1-one
CID 174365410
benzo[a]anthracene-1,2-dicarboxylic acid
CID 174918266
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
acetic acid;benzo[a]anthracene-1,2-diol
CID 57354146
anthracene-1,4-dicarbonyl chloride
CID 21424527

Frequently Asked Questions

What is the IUPAC name of carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone?
The IUPAC name of carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone (CID 20798412) is carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone.
What is the SMILES notation for carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone?
The canonical SMILES for carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone is O=C(c1ccc2cc3ccccc3cc2c1O)C(F)(F)F.[CH3-].[Eu].
What is the InChIKey of carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone?
The InChIKey is ATPPSVZEPCSKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3O2.CH3.Eu/c17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;;/h1-8,20H;1H3;/q;-1;.
What are the key properties of carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone?
carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone has a molecular weight of 457.24 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone is sourced from PubChem (CID 20798412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).