CID 11038492

C19H16F6FeO2P2- — CID 11038492

IUPAC—
SMILESF[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C5H5.2CO.F6P.Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;2*1-2;1-7(2,3,4,5)6;/h1-10,13H;1-5H;;;;/q;;;;-1;
InChIKeyXMFXFMDOAFJAHU-UHFFFAOYSA-N
MW508.12 g/mol
LogP6.64
Rot. Bonds2

About CID 11038492

CID 11038492 (PubChem CID 11038492) has the molecular formula C19H16F6FeO2P2- and a molecular weight of 508.12 g/mol.

Molecular Properties

Compound NameCID 11038492
PubChem CID11038492
Molecular FormulaC19H16F6FeO2P2-
Molecular Weight508.12 g/mol
Exact Mass507.99
IUPAC Name—
SMILESF[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C5H5.2CO.F6P.Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;2*1-2;1-7(2,3,4,5)6;/h1-10,13H;1-5H;;;;/q;;;;-1;
InChIKeyXMFXFMDOAFJAHU-UHFFFAOYSA-N
XLogP6.64
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.12
LogP ≤ 56.64
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11038492?
The IUPAC name of CID 11038492 (CID 11038492) is not available.
What is the SMILES notation for CID 11038492?
The canonical SMILES for CID 11038492 is F[P-](F)(F)(F)(F)F.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe].c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of CID 11038492?
The InChIKey is XMFXFMDOAFJAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C5H5.2CO.F6P.Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;2*1-2;1-7(2,3,4,5)6;/h1-10,13H;1-5H;;;;/q;;;;-1;.
What are the key properties of CID 11038492?
CID 11038492 has a molecular weight of 508.12 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11038492 is sourced from PubChem (CID 11038492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).