CID 11133415

C11H9Cl2F6FeP+ — CID 11133415

IUPAC—
SMILESClc1cccc(Cl)c1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C6H4Cl2.C5H5.F6P.Fe/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-4H;1-5H;;/q;;-1;+2
InChIKeyCLELLZQZMWIZFP-UHFFFAOYSA-N
MW412.91 g/mol
LogP7.39
Rot. Bonds

About CID 11133415

CID 11133415 (PubChem CID 11133415) has the molecular formula C11H9Cl2F6FeP+ and a molecular weight of 412.91 g/mol.

Molecular Properties

Compound NameCID 11133415
PubChem CID11133415
Molecular FormulaC11H9Cl2F6FeP+
Molecular Weight412.91 g/mol
Exact Mass411.91
IUPAC Name—
SMILESClc1cccc(Cl)c1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C6H4Cl2.C5H5.F6P.Fe/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-4H;1-5H;;/q;;-1;+2
InChIKeyCLELLZQZMWIZFP-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.91
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11133415?
The IUPAC name of CID 11133415 (CID 11133415) is not available.
What is the SMILES notation for CID 11133415?
The canonical SMILES for CID 11133415 is Clc1cccc(Cl)c1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11133415?
The InChIKey is CLELLZQZMWIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C5H5.F6P.Fe/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-4H;1-5H;;/q;;-1;+2.
What are the key properties of CID 11133415?
CID 11133415 has a molecular weight of 412.91 g/mol, XLogP of 7.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11133415 is sourced from PubChem (CID 11133415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).