cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

C16H12CoF2N2O2 — CID 138396233

IUPACcobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Co+2].[O-]c1c(F)cccc1/C=N\CC/N=C/c1cccc(F)c1[O-]
InChIInChI=1S/C16H14F2N2O2.Co/c17-13-5-1-3-11(15(13)21)9-19-7-8-20-10-12-4-2-6-14(18)16(12)22;/h1-6,9-10,21-22H,7-8H2;/q;+2/p-2/b19-9-,20-10+;
InChIKeyDGDZLFWNPPLOHJ-HDHAKMETSA-L
MW361.21 g/mol
LogP1.65
Rot. Bonds5

About cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (PubChem CID 138396233) has the molecular formula C16H12CoF2N2O2 and a molecular weight of 361.21 g/mol. Its IUPAC name is cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.

Molecular Properties

Compound Namecobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
PubChem CID138396233
Molecular FormulaC16H12CoF2N2O2
Molecular Weight361.21 g/mol
Exact Mass361.02
IUPAC Namecobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Co+2].[O-]c1c(F)cccc1/C=N\CC/N=C/c1cccc(F)c1[O-]
InChIInChI=1S/C16H14F2N2O2.Co/c17-13-5-1-3-11(15(13)21)9-19-7-8-20-10-12-4-2-6-14(18)16(12)22;/h1-6,9-10,21-22H,7-8H2;/q;+2/p-2/b19-9-,20-10+;
InChIKeyDGDZLFWNPPLOHJ-HDHAKMETSA-L
XLogP1.65
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Bis(salicylidene)ethylenediamine
CID 26518
Copper, ((2,2'-(1,2-ethanediylbis((nitrilo-kappaN)methylidyne))bis(phenolato-kappaO))(2-))-, (SP-4-2)-
CID 12544621
N,N'-Bis(salicylidene)ethylenediaminonickel(II)
CID 139698
Salcomin
CID 56840842
Bis(salicylidene)ethylenediiminocopper
CID 407013
Salcomine
CID 26517
Cobalt, bis(3-fluorosalicylaldehyde)ethylenediimine-
CID 56840885
hydroxycobalt(2+); 2-[(E)-2-[(E)-(2-hydroxyphenyl)methyleneamino]ethyliminomethyl]phenol
CID 482294
N,N'-bis(salicylidene)methylethylene diaminocobalt(II)
CID 482295
Nickel, [[alpha,alpha'-(ethylenedinitrilo)di-o-cresolato](2-)]-
CID 482297
cobaltous 2-tert-butyl-6-[(E)-2-[(E)-(3-tert-butyl-2-hydroxy-phenyl)methyleneamino]ethyliminomethyl]phenol
CID 482305
N,N'-bis[(salicylidene)-4,6-methyl]ethylene diaminocobalt (II)
CID 482309

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The IUPAC name of cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (CID 138396233) is cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.
What is the SMILES notation for cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The canonical SMILES for cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is [Co+2].[O-]c1c(F)cccc1/C=N\CC/N=C/c1cccc(F)c1[O-].
What is the InChIKey of cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The InChIKey is DGDZLFWNPPLOHJ-HDHAKMETSA-L. The full InChI is InChI=1S/C16H14F2N2O2.Co/c17-13-5-1-3-11(15(13)21)9-19-7-8-20-10-12-4-2-6-14(18)16(12)22;/h1-6,9-10,21-22H,7-8H2;/q;+2/p-2/b19-9-,20-10+;.
What are the key properties of cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate has a molecular weight of 361.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-fluoro-6-[2-[(3-fluoro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is sourced from PubChem (CID 138396233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).