cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline

C17H10CeF6N2O2 — CID 20606754

IUPACcerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Ce].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C5H2F6O2.Ce/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-8H;1,12H;/b;2-1-;
InChIKeyDEUZHUQDLTUAQN-FJOGWHKWSA-N
MW528.38 g/mol
LogP4.91
Rot. Bonds1

About cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline

cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline (PubChem CID 20606754) has the molecular formula C17H10CeF6N2O2 and a molecular weight of 528.38 g/mol. Its IUPAC name is cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline.

Molecular Properties

Compound Namecerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline
PubChem CID20606754
Molecular FormulaC17H10CeF6N2O2
Molecular Weight528.38 g/mol
Exact Mass527.97
IUPAC Namecerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Ce].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C5H2F6O2.Ce/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-8H;1,12H;/b;2-1-;
InChIKeyDEUZHUQDLTUAQN-FJOGWHKWSA-N
XLogP4.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline hydrate
CID 21226
Infractopicrin
CID 46228995
Pt(Phen)Cl2, 2
CID 3524225
(1,10-Phenanthroline)(trifluoromethyl)copper(I)
CID 53341617
Copper(1+);1,10-phenanthroline;trifluoromethane
CID 76016196
CID 140913198
CID 140913198
1,10-Phenanthroline;trifluoromethylcopper
CID 176450702
Tricarbonyl(1,10-phenanthroline)rhenium(1+)
CID 446592
Dibromo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane;1,10-phenanthroline
CID 5200160
6-[[4-(Trifluoromethyl)phenyl]methyl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-6-ium-2-one chloride
CID 127042565
2-(Trifluoromethyl)-1,10-phenanthroline
CID 72771063
Dichloroiron;1,10-phenanthroline
CID 3383833

Frequently Asked Questions

What is the IUPAC name of cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline?
The IUPAC name of cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline (CID 20606754) is cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline.
What is the SMILES notation for cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline?
The canonical SMILES for cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline is O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Ce].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline?
The InChIKey is DEUZHUQDLTUAQN-FJOGWHKWSA-N. The full InChI is InChI=1S/C12H8N2.C5H2F6O2.Ce/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-8H;1,12H;/b;2-1-;.
What are the key properties of cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline?
cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline has a molecular weight of 528.38 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline is sourced from PubChem (CID 20606754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).