carbon monoxide;manganese;2,2,2-trifluoroacetic acid

C7HF3MnO7 — CID 134981507

IUPACcarbon monoxide;manganese;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C2HF3O2.5CO.Mn/c3-2(4,5)1(6)7;5*1-2;/h(H,6,7);;;;;;
InChIKeyBGDVVDHBKGPBMR-UHFFFAOYSA-N
MW309.01 g/mol
LogP0.44
Rot. Bonds

About carbon monoxide;manganese;2,2,2-trifluoroacetic acid

carbon monoxide;manganese;2,2,2-trifluoroacetic acid (PubChem CID 134981507) has the molecular formula C7HF3MnO7 and a molecular weight of 309.01 g/mol. Its IUPAC name is carbon monoxide;manganese;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecarbon monoxide;manganese;2,2,2-trifluoroacetic acid
PubChem CID134981507
Molecular FormulaC7HF3MnO7
Molecular Weight309.01 g/mol
Exact Mass308.91
IUPAC Namecarbon monoxide;manganese;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C2HF3O2.5CO.Mn/c3-2(4,5)1(6)7;5*1-2;/h(H,6,7);;;;;;
InChIKeyBGDVVDHBKGPBMR-UHFFFAOYSA-N
XLogP0.44
TPSA136.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.01
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
CID 159010746
CID 159010746
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;manganese;2,2,2-trifluoroacetic acid?
The IUPAC name of carbon monoxide;manganese;2,2,2-trifluoroacetic acid (CID 134981507) is carbon monoxide;manganese;2,2,2-trifluoroacetic acid.
What is the SMILES notation for carbon monoxide;manganese;2,2,2-trifluoroacetic acid?
The canonical SMILES for carbon monoxide;manganese;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of carbon monoxide;manganese;2,2,2-trifluoroacetic acid?
The InChIKey is BGDVVDHBKGPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.5CO.Mn/c3-2(4,5)1(6)7;5*1-2;/h(H,6,7);;;;;;.
What are the key properties of carbon monoxide;manganese;2,2,2-trifluoroacetic acid?
carbon monoxide;manganese;2,2,2-trifluoroacetic acid has a molecular weight of 309.01 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;manganese;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134981507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).