manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate

C8H6FMnO2- — CID 134857390

IUPACmanganese;methyl 3-fluorobenzene-2-ide-1-carboxylate
SMILESCOC(=O)c1[c-]c(F)ccc1.[Mn]
InChIInChI=1S/C8H6FO2.Mn/c1-11-8(10)6-3-2-4-7(9)5-6;/h2-4H,1H3;/q-1;
InChIKeyVKSDGFYASBBJRZ-UHFFFAOYSA-N
MW208.07 g/mol
LogP1.41
Rot. Bonds1

About manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate

manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate (PubChem CID 134857390) has the molecular formula C8H6FMnO2- and a molecular weight of 208.07 g/mol. Its IUPAC name is manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate.

Molecular Properties

Compound Namemanganese;methyl 3-fluorobenzene-2-ide-1-carboxylate
PubChem CID134857390
Molecular FormulaC8H6FMnO2-
Molecular Weight208.07 g/mol
Exact Mass207.97
IUPAC Namemanganese;methyl 3-fluorobenzene-2-ide-1-carboxylate
SMILESCOC(=O)c1[c-]c(F)ccc1.[Mn]
InChIInChI=1S/C8H6FO2.Mn/c1-11-8(10)6-3-2-4-7(9)5-6;/h2-4H,1H3;/q-1;
InChIKeyVKSDGFYASBBJRZ-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-fluoro-3-propoxybenzoate
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methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
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azane;dimethyl benzene-1,3-dicarboxylate;hydron
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CID 170307924
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360

Frequently Asked Questions

What is the IUPAC name of manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate?
The IUPAC name of manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate (CID 134857390) is manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate.
What is the SMILES notation for manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate?
The canonical SMILES for manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate is COC(=O)c1[c-]c(F)ccc1.[Mn].
What is the InChIKey of manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate?
The InChIKey is VKSDGFYASBBJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FO2.Mn/c1-11-8(10)6-3-2-4-7(9)5-6;/h2-4H,1H3;/q-1;.
What are the key properties of manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate?
manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate has a molecular weight of 208.07 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;methyl 3-fluorobenzene-2-ide-1-carboxylate is sourced from PubChem (CID 134857390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).