carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene

C10H7F3FeO2+4 — CID 11986424

IUPACcarbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene
SMILES[C-]#[O+].[C-]#[O+].[Fe+6].[H]/[C-]=C\C(F)(F)F.c1cc[cH-]c1
InChIInChI=1S/C5H5.C3H2F3.2CO.Fe/c1-2-4-5-3-1;1-2-3(4,5)6;2*1-2;/h1-5H;1-2H;;;/q2*-1;;;+6
InChIKeyUCHVRMZORMCQBP-UHFFFAOYSA-N
MW272.00 g/mol
LogP2.87
Rot. Bonds

About carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene

carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene (PubChem CID 11986424) has the molecular formula C10H7F3FeO2+4 and a molecular weight of 272.00 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene
PubChem CID11986424
Molecular FormulaC10H7F3FeO2+4
Molecular Weight272.00 g/mol
Exact Mass271.97
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene
SMILES[C-]#[O+].[C-]#[O+].[Fe+6].[H]/[C-]=C\C(F)(F)F.c1cc[cH-]c1
InChIInChI=1S/C5H5.C3H2F3.2CO.Fe/c1-2-4-5-3-1;1-2-3(4,5)6;2*1-2;/h1-5H;1-2H;;;/q2*-1;;;+6
InChIKeyUCHVRMZORMCQBP-UHFFFAOYSA-N
XLogP2.87
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.00
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene (CID 11986424) is carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene is [C-]#[O+].[C-]#[O+].[Fe+6].[H]/[C-]=C\C(F)(F)F.c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene?
The InChIKey is UCHVRMZORMCQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H2F3.2CO.Fe/c1-2-4-5-3-1;1-2-3(4,5)6;2*1-2;/h1-5H;1-2H;;;/q2*-1;;;+6.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene?
carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene has a molecular weight of 272.00 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;iron(6+);3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 11986424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).