cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)

C16H9F5Fe — CID 139270124

IUPACcyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)
SMILESFc1c(F)c(F)c(-[c-]2cccc2)c(F)c1F.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C11H4F5.C5H5.Fe/c12-7-6(5-3-1-2-4-5)8(13)10(15)11(16)9(7)14;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2
InChIKeyQATAHIIJFUDMKG-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.17
Rot. Bonds1

About cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)

cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+) (PubChem CID 139270124) has the molecular formula C16H9F5Fe and a molecular weight of 352.08 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)
PubChem CID139270124
Molecular FormulaC16H9F5Fe
Molecular Weight352.08 g/mol
Exact Mass352.00
IUPAC Namecyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)
SMILESFc1c(F)c(F)c(-[c-]2cccc2)c(F)c1F.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C11H4F5.C5H5.Fe/c12-7-6(5-3-1-2-4-5)8(13)10(15)11(16)9(7)14;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2
InChIKeyQATAHIIJFUDMKG-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+) (CID 139270124) is cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+) is Fc1c(F)c(F)c(-[c-]2cccc2)c(F)c1F.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)?
The InChIKey is QATAHIIJFUDMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F5.C5H5.Fe/c12-7-6(5-3-1-2-4-5)8(13)10(15)11(16)9(7)14;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+)?
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+) has a molecular weight of 352.08 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;iron(2+) is sourced from PubChem (CID 139270124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).