carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one

C10H5F5FeO3+4 — CID 11986335

IUPACcarbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one
SMILESO=[C-]C(F)(F)C(F)(F)F.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C5H5.C3F5O.2CO.Fe/c1-2-4-5-3-1;4-2(5,1-9)3(6,7)8;2*1-2;/h1-5H;;;;/q2*-1;;;+6
InChIKeyKQBCTQRGPMJWPG-UHFFFAOYSA-N
MW323.98 g/mol
LogP2.62
Rot. Bonds1

About carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one

carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one (PubChem CID 11986335) has the molecular formula C10H5F5FeO3+4 and a molecular weight of 323.98 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one
PubChem CID11986335
Molecular FormulaC10H5F5FeO3+4
Molecular Weight323.98 g/mol
Exact Mass323.95
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one
SMILESO=[C-]C(F)(F)C(F)(F)F.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C5H5.C3F5O.2CO.Fe/c1-2-4-5-3-1;4-2(5,1-9)3(6,7)8;2*1-2;/h1-5H;;;;/q2*-1;;;+6
InChIKeyKQBCTQRGPMJWPG-UHFFFAOYSA-N
XLogP2.62
TPSA56.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.98
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;cyclopenta-1,3-diene;2,2,3,3,4,4,4-heptafluorobutan-1-one;tungsten
CID 11986314
carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
CID 11986665
carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)
CID 42615928
carbon monoxide;cyclopenta-1,3-diene;rhodium
CID 12785578
carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene
CID 11986424
carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium
CID 139264199
CID 139264256
CID 139264256
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
bis(cyclopenta-1,3-diene);hydroxymethanone;iron(3+)
CID 154418619
carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane
CID 172991230
cyclopenta-1,3-diene;iron;hexafluorophosphate
CID 175093533
Iron, dicarbonyl-pi-cyclopentadienyl(trimethylsilyl)-
CID 11986650

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one (CID 11986335) is carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one is O=[C-]C(F)(F)C(F)(F)F.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one?
The InChIKey is KQBCTQRGPMJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3F5O.2CO.Fe/c1-2-4-5-3-1;4-2(5,1-9)3(6,7)8;2*1-2;/h1-5H;;;;/q2*-1;;;+6.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one?
carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one has a molecular weight of 323.98 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;iron(6+);2,2,3,3,3-pentafluoropropan-1-one is sourced from PubChem (CID 11986335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).