acetic acid;iron;hydrofluoride

C2H5FFeO2 — CID 174806261

IUPACacetic acid;iron;hydrofluoride
SMILESCC(=O)O.F.[Fe]
InChIInChI=1S/C2H4O2.FH.Fe/c1-2(3)4;;/h1H3,(H,3,4);1H;
InChIKeyIFJWGSNLOWZWKK-UHFFFAOYSA-N
MW135.90 g/mol
LogP0.24
Rot. Bonds

About acetic acid;iron;hydrofluoride

acetic acid;iron;hydrofluoride (PubChem CID 174806261) has the molecular formula C2H5FFeO2 and a molecular weight of 135.90 g/mol. Its IUPAC name is acetic acid;iron;hydrofluoride.

Molecular Properties

Compound Nameacetic acid;iron;hydrofluoride
PubChem CID174806261
Molecular FormulaC2H5FFeO2
Molecular Weight135.90 g/mol
Exact Mass135.96
IUPAC Nameacetic acid;iron;hydrofluoride
SMILESCC(=O)O.F.[Fe]
InChIInChI=1S/C2H4O2.FH.Fe/c1-2(3)4;;/h1H3,(H,3,4);1H;
InChIKeyIFJWGSNLOWZWKK-UHFFFAOYSA-N
XLogP0.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.90
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetic acid;iron;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;iron;propan-2-one
CID 174901322
acetic acid;iron;hexahydrate
CID 171714614
acetic acid;iron;trihydrochloride
CID 174956683
acetic acid
CID 158444727
acetic acid;cobalt;iron;hydrochloride
CID 174892788
acetic acid;copper;nickel;hydrofluoride
CID 174884777
acetic acid;carbonic acid
CID 157418112
acetic acid;decahydrate
CID 163997764
Tin(II)acetate
CID 87063833
acetic acid;cadmium
CID 2514
acetic acid;azane
CID 173340275
acetic acid;stibane
CID 173054099

Frequently Asked Questions

What is the IUPAC name of acetic acid;iron;hydrofluoride?
The IUPAC name of acetic acid;iron;hydrofluoride (CID 174806261) is acetic acid;iron;hydrofluoride.
What is the SMILES notation for acetic acid;iron;hydrofluoride?
The canonical SMILES for acetic acid;iron;hydrofluoride is CC(=O)O.F.[Fe].
What is the InChIKey of acetic acid;iron;hydrofluoride?
The InChIKey is IFJWGSNLOWZWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.FH.Fe/c1-2(3)4;;/h1H3,(H,3,4);1H;.
What are the key properties of acetic acid;iron;hydrofluoride?
acetic acid;iron;hydrofluoride has a molecular weight of 135.90 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;iron;hydrofluoride is sourced from PubChem (CID 174806261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).