copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide

C19H11CuF4N2O — CID 87647798

IUPACcopper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide
SMILESCOc1c(F)c(F)[c-]c(F)c1F.[Cu+].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H3F4O.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-12-7-5(10)3(8)2-4(9)6(7)11;/h1-8H;1H3;/q;-1;+1
InChIKeyUITGVIBBDPTNJD-UHFFFAOYSA-N
MW422.85 g/mol
LogP4.83
Rot. Bonds1

About copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide

copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide (PubChem CID 87647798) has the molecular formula C19H11CuF4N2O and a molecular weight of 422.85 g/mol. Its IUPAC name is copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide.

Molecular Properties

Compound Namecopper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide
PubChem CID87647798
Molecular FormulaC19H11CuF4N2O
Molecular Weight422.85 g/mol
Exact Mass422.01
IUPAC Namecopper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide
SMILESCOc1c(F)c(F)[c-]c(F)c1F.[Cu+].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H3F4O.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-12-7-5(10)3(8)2-4(9)6(7)11;/h1-8H;1H3;/q;-1;+1
InChIKeyUITGVIBBDPTNJD-UHFFFAOYSA-N
XLogP4.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781

Frequently Asked Questions

What is the IUPAC name of copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide?
The IUPAC name of copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide (CID 87647798) is copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide.
What is the SMILES notation for copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide?
The canonical SMILES for copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide is COc1c(F)c(F)[c-]c(F)c1F.[Cu+].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide?
The InChIKey is UITGVIBBDPTNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C7H3F4O.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-12-7-5(10)3(8)2-4(9)6(7)11;/h1-8H;1H3;/q;-1;+1.
What are the key properties of copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide?
copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide has a molecular weight of 422.85 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1,10-phenanthroline;1,2,4,5-tetrafluoro-3-methoxybenzene-6-ide is sourced from PubChem (CID 87647798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).