cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene

C43H25CeF24N4O4 — CID 139167986

IUPACcerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene
SMILESCc1ccccc1.[Ce+3].[O-]C(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C7H8.C6HF12O2.C6F12O2.Ce/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-5-3-2-4-6-7;2*7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18;/h2*1-8H;2-6H,1H3;19H;;/q;;;-1;-2;+3
InChIKeyFLFNPYMFPCKXFB-UHFFFAOYSA-N
MW1257.76 g/mol
LogP11.06
Rot. Bonds2

About cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene

cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene (PubChem CID 139167986) has the molecular formula C43H25CeF24N4O4 and a molecular weight of 1257.76 g/mol. Its IUPAC name is cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene.

Molecular Properties

Compound Namecerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene
PubChem CID139167986
Molecular FormulaC43H25CeF24N4O4
Molecular Weight1257.76 g/mol
Exact Mass1257.05
IUPAC Namecerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene
SMILESCc1ccccc1.[Ce+3].[O-]C(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C7H8.C6HF12O2.C6F12O2.Ce/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-5-3-2-4-6-7;2*7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18;/h2*1-8H;2-6H,1H3;19H;;/q;;;-1;-2;+3
InChIKeyFLFNPYMFPCKXFB-UHFFFAOYSA-N
XLogP11.06
TPSA140.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.76
LogP ≤ 511.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene with MolForge

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Related Compounds

Bis(1,10-phenanthroline)platinum(II)
CID 162394466
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300
Bis(copper(1+));bis(1,10-phenanthroline);bis(trifluoromethaneselenolate)
CID 139041802
ZINC;bis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139048112
Bis(1,10-phenanthroline)(dicyanamido)copper(II) trifluoromethanesulfonate
CID 139058873
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
CID 139087157
Tris(4,7-dimethyl-1,10-phenanthroline);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139118151
[Cr(phen)3](OTf)2
CID 139137425
bis(1,10-phenanthroline);bis(terbium(3+));pentakis((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate);(Z)-6,6,6-trifluoro-2,2-dimethyl-5-oxohex-3-en-3-olate
CID 139144078
zinc bis((Z)-1,1,1-trifluoro-4-quinolin-8-yliminopent-2-en-2-olate)
CID 139165158
zinc bis((Z)-6,6,6-trifluoro-2,2-dimethyl-5-quinolin-8-yliminohex-3-en-3-olate)
CID 139165159

Frequently Asked Questions

What is the IUPAC name of cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene?
The IUPAC name of cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene (CID 139167986) is cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene.
What is the SMILES notation for cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene?
The canonical SMILES for cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene is Cc1ccccc1.[Ce+3].[O-]C(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene?
The InChIKey is FLFNPYMFPCKXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C7H8.C6HF12O2.C6F12O2.Ce/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-5-3-2-4-6-7;2*7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18;/h2*1-8H;2-6H,1H3;19H;;/q;;;-1;-2;+3.
What are the key properties of cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene?
cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene has a molecular weight of 1257.76 g/mol, XLogP of 11.06, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate;1,1,1,4,4,4-hexafluoro-3-hydroxy-2,3-bis(trifluoromethyl)butan-2-olate;bis(1,10-phenanthroline);toluene is sourced from PubChem (CID 139167986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).