[bromo(chloro)methylidene]iron(1+)

CBrClFe+ — CID 71430072

IUPAC[bromo(chloro)methylidene]iron(1+)
SMILESClC(=[Fe+])Br
InChIInChI=1S/CBrCl.Fe/c2-1-3;/q;+1
InChIKeyJCOWSMOCEWJTDG-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.25
Rot. Bonds

About [bromo(chloro)methylidene]iron(1+)

[bromo(chloro)methylidene]iron(1+) (PubChem CID 71430072) has the molecular formula CBrClFe+ and a molecular weight of 183.21 g/mol. Its IUPAC name is [bromo(chloro)methylidene]iron(1+).

Molecular Properties

Compound Name[bromo(chloro)methylidene]iron(1+)
PubChem CID71430072
Molecular FormulaCBrClFe+
Molecular Weight183.21 g/mol
Exact Mass181.82
IUPAC Name[bromo(chloro)methylidene]iron(1+)
SMILESClC(=[Fe+])Br
InChIInChI=1S/CBrCl.Fe/c2-1-3;/q;+1
InChIKeyJCOWSMOCEWJTDG-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.25
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 [bromo(chloro)methylidene]iron(1+)?
The IUPAC name of [bromo(chloro)methylidene]iron(1+) (CID 71430072) is [bromo(chloro)methylidene]iron(1+).
What is the SMILES notation for [bromo(chloro)methylidene]iron(1+)?
The canonical SMILES for [bromo(chloro)methylidene]iron(1+) is ClC(=[Fe+])Br.
What is the InChIKey of [bromo(chloro)methylidene]iron(1+)?
The InChIKey is JCOWSMOCEWJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/CBrCl.Fe/c2-1-3;/q;+1.
What are the key properties of [bromo(chloro)methylidene]iron(1+)?
[bromo(chloro)methylidene]iron(1+) has a molecular weight of 183.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(chloro)methylidene]iron(1+) is sourced from PubChem (CID 71430072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).