acetic acid;iron;trihydrochloride

C2H7Cl3FeO2 — CID 174956683

IUPACacetic acid;iron;trihydrochloride
SMILESCC(=O)O.Cl.Cl.Cl.[Fe]
InChIInChI=1S/C2H4O2.3ClH.Fe/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H;
InChIKeyBWHPWMMQMGCTHM-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.35
Rot. Bonds

About acetic acid;iron;trihydrochloride

acetic acid;iron;trihydrochloride (PubChem CID 174956683) has the molecular formula C2H7Cl3FeO2 and a molecular weight of 225.28 g/mol. Its IUPAC name is acetic acid;iron;trihydrochloride.

Molecular Properties

Compound Nameacetic acid;iron;trihydrochloride
PubChem CID174956683
Molecular FormulaC2H7Cl3FeO2
Molecular Weight225.28 g/mol
Exact Mass223.89
IUPAC Nameacetic acid;iron;trihydrochloride
SMILESCC(=O)O.Cl.Cl.Cl.[Fe]
InChIInChI=1S/C2H4O2.3ClH.Fe/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H;
InChIKeyBWHPWMMQMGCTHM-UHFFFAOYSA-N
XLogP1.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;iron;trihydrochloride?
The IUPAC name of acetic acid;iron;trihydrochloride (CID 174956683) is acetic acid;iron;trihydrochloride.
What is the SMILES notation for acetic acid;iron;trihydrochloride?
The canonical SMILES for acetic acid;iron;trihydrochloride is CC(=O)O.Cl.Cl.Cl.[Fe].
What is the InChIKey of acetic acid;iron;trihydrochloride?
The InChIKey is BWHPWMMQMGCTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.3ClH.Fe/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H;.
What are the key properties of acetic acid;iron;trihydrochloride?
acetic acid;iron;trihydrochloride has a molecular weight of 225.28 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;iron;trihydrochloride is sourced from PubChem (CID 174956683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).