CID 11065818

C16H13FFe+2 — CID 11065818

IUPAC—
SMILESFc1ccc([C]2[CH][CH][CH][CH]2)cc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H8F.C5H5.Fe/c12-11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1;/h1-8H;1-5H;/q;;+2
InChIKeyPXBSHJTURDGXGB-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.60
Rot. Bonds1

About CID 11065818

CID 11065818 (PubChem CID 11065818) has the molecular formula C16H13FFe+2 and a molecular weight of 280.12 g/mol.

Molecular Properties

Compound NameCID 11065818
PubChem CID11065818
Molecular FormulaC16H13FFe+2
Molecular Weight280.12 g/mol
Exact Mass280.03
IUPAC Name—
SMILESFc1ccc([C]2[CH][CH][CH][CH]2)cc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H8F.C5H5.Fe/c12-11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1;/h1-8H;1-5H;/q;;+2
InChIKeyPXBSHJTURDGXGB-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.60
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 CID 11065818?
The IUPAC name of CID 11065818 (CID 11065818) is not available.
What is the SMILES notation for CID 11065818?
The canonical SMILES for CID 11065818 is Fc1ccc([C]2[CH][CH][CH][CH]2)cc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11065818?
The InChIKey is PXBSHJTURDGXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F.C5H5.Fe/c12-11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1;/h1-8H;1-5H;/q;;+2.
What are the key properties of CID 11065818?
CID 11065818 has a molecular weight of 280.12 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11065818 is sourced from PubChem (CID 11065818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).