difluoromethylideneiron

CF2Fe — CID 162534629

IUPACdifluoromethylideneiron
SMILESFC(F)=[Fe]
InChIInChI=1S/CF2.Fe/c2-1-3;
InChIKeyKJDSQMFUHWQKJT-UHFFFAOYSA-N
MW105.85 g/mol
LogP0.56
Rot. Bonds

About difluoromethylideneiron

difluoromethylideneiron (PubChem CID 162534629) has the molecular formula CF2Fe and a molecular weight of 105.85 g/mol. Its IUPAC name is difluoromethylideneiron.

Molecular Properties

Compound Namedifluoromethylideneiron
PubChem CID162534629
Molecular FormulaCF2Fe
Molecular Weight105.85 g/mol
Exact Mass105.93
IUPAC Namedifluoromethylideneiron
SMILESFC(F)=[Fe]
InChIInChI=1S/CF2.Fe/c2-1-3;
InChIKeyKJDSQMFUHWQKJT-UHFFFAOYSA-N
XLogP0.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.85
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 difluoromethylideneiron?
The IUPAC name of difluoromethylideneiron (CID 162534629) is difluoromethylideneiron.
What is the SMILES notation for difluoromethylideneiron?
The canonical SMILES for difluoromethylideneiron is FC(F)=[Fe].
What is the InChIKey of difluoromethylideneiron?
The InChIKey is KJDSQMFUHWQKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/CF2.Fe/c2-1-3;.
What are the key properties of difluoromethylideneiron?
difluoromethylideneiron has a molecular weight of 105.85 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylideneiron is sourced from PubChem (CID 162534629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).