iron;tris(2,2,2-trifluoroacetic acid)

C6H3F9FeO6 — CID 11069281

IUPACiron;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Fe]
InChIInChI=1S/3C2HF3O2.Fe/c3*3-2(4,5)1(6)7;/h3*(H,6,7);
InChIKeyBISCICQGDSZXGF-UHFFFAOYSA-N
MW397.91 g/mol
LogP1.90
Rot. Bonds

About iron;tris(2,2,2-trifluoroacetic acid)

iron;tris(2,2,2-trifluoroacetic acid) (PubChem CID 11069281) has the molecular formula C6H3F9FeO6 and a molecular weight of 397.91 g/mol. Its IUPAC name is iron;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameiron;tris(2,2,2-trifluoroacetic acid)
PubChem CID11069281
Molecular FormulaC6H3F9FeO6
Molecular Weight397.91 g/mol
Exact Mass397.91
IUPAC Nameiron;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Fe]
InChIInChI=1S/3C2HF3O2.Fe/c3*3-2(4,5)1(6)7;/h3*(H,6,7);
InChIKeyBISCICQGDSZXGF-UHFFFAOYSA-N
XLogP1.90
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of iron;tris(2,2,2-trifluoroacetic acid) (CID 11069281) is iron;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for iron;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for iron;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Fe].
What is the InChIKey of iron;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is BISCICQGDSZXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2HF3O2.Fe/c3*3-2(4,5)1(6)7;/h3*(H,6,7);.
What are the key properties of iron;tris(2,2,2-trifluoroacetic acid)?
iron;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 397.91 g/mol, XLogP of 1.90, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 11069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).