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

C16H12CoF2N2O2 — CID 56840885

IUPACcobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Co+2].[O-]c1cccc(F)c1/C=N/CC/N=C/c1c([O-])cccc1F
InChIInChI=1S/C16H14F2N2O2.Co/c17-13-3-1-5-15(21)11(13)9-19-7-8-20-10-12-14(18)4-2-6-16(12)22;/h1-6,9-10,21-22H,7-8H2;/q;+2/p-2/b19-9+,20-10+;
InChIKeyVUNNDCACJFYYFK-HCURTGQUSA-L
MW361.21 g/mol
LogP1.65
Rot. Bonds5

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

cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (PubChem CID 56840885) has the molecular formula C16H12CoF2N2O2 and a molecular weight of 361.21 g/mol. Its IUPAC name is cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.

Molecular Properties

Compound Namecobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
PubChem CID56840885
Molecular FormulaC16H12CoF2N2O2
Molecular Weight361.21 g/mol
Exact Mass361.02
IUPAC Namecobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILES[Co+2].[O-]c1cccc(F)c1/C=N/CC/N=C/c1c([O-])cccc1F
InChIInChI=1S/C16H14F2N2O2.Co/c17-13-3-1-5-15(21)11(13)9-19-7-8-20-10-12-14(18)4-2-6-16(12)22;/h1-6,9-10,21-22H,7-8H2;/q;+2/p-2/b19-9+,20-10+;
InChIKeyVUNNDCACJFYYFK-HCURTGQUSA-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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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The IUPAC name of cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (CID 56840885) is cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.
What is the SMILES notation for cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The canonical SMILES for cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is [Co+2].[O-]c1cccc(F)c1/C=N/CC/N=C/c1c([O-])cccc1F.
What is the InChIKey of cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The InChIKey is VUNNDCACJFYYFK-HCURTGQUSA-L. The full InChI is InChI=1S/C16H14F2N2O2.Co/c17-13-3-1-5-15(21)11(13)9-19-7-8-20-10-12-14(18)4-2-6-16(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+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-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+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is sourced from PubChem (CID 56840885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).