bis(5-bromocyclopenta-1,3-diene);iron(2+)

C10H8Br2Fe — CID 15181852

IUPACbis(5-bromocyclopenta-1,3-diene);iron(2+)
SMILESBr[c-]1cccc1.Br[c-]1cccc1.[Fe+2]
InChIInChI=1S/2C5H4Br.Fe/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2
InChIKeyANUJXWUVZHMJDL-UHFFFAOYSA-N
MW343.83 g/mol
LogP4.33
Rot. Bonds

About bis(5-bromocyclopenta-1,3-diene);iron(2+)

bis(5-bromocyclopenta-1,3-diene);iron(2+) (PubChem CID 15181852) has the molecular formula C10H8Br2Fe and a molecular weight of 343.83 g/mol. Its IUPAC name is bis(5-bromocyclopenta-1,3-diene);iron(2+).

Molecular Properties

Compound Namebis(5-bromocyclopenta-1,3-diene);iron(2+)
PubChem CID15181852
Molecular FormulaC10H8Br2Fe
Molecular Weight343.83 g/mol
Exact Mass341.83
IUPAC Namebis(5-bromocyclopenta-1,3-diene);iron(2+)
SMILESBr[c-]1cccc1.Br[c-]1cccc1.[Fe+2]
InChIInChI=1S/2C5H4Br.Fe/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2
InChIKeyANUJXWUVZHMJDL-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(5-bromocyclopenta-1,3-diene);iron(2+)?
The IUPAC name of bis(5-bromocyclopenta-1,3-diene);iron(2+) (CID 15181852) is bis(5-bromocyclopenta-1,3-diene);iron(2+).
What is the SMILES notation for bis(5-bromocyclopenta-1,3-diene);iron(2+)?
The canonical SMILES for bis(5-bromocyclopenta-1,3-diene);iron(2+) is Br[c-]1cccc1.Br[c-]1cccc1.[Fe+2].
What is the InChIKey of bis(5-bromocyclopenta-1,3-diene);iron(2+)?
The InChIKey is ANUJXWUVZHMJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4Br.Fe/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2.
What are the key properties of bis(5-bromocyclopenta-1,3-diene);iron(2+)?
bis(5-bromocyclopenta-1,3-diene);iron(2+) has a molecular weight of 343.83 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromocyclopenta-1,3-diene);iron(2+) is sourced from PubChem (CID 15181852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).