CID 11133612

C17H17F6FeP+ — CID 11133612

IUPAC—
SMILESCc1ccc(C)c2ccccc12.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H12.C5H5.F6P.Fe/c1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-8H,1-2H3;1-5H;;/q;;-1;+2
InChIKeyLIAWCCCDSYHGLW-UHFFFAOYSA-N
MW422.13 g/mol
LogP7.86
Rot. Bonds

About CID 11133612

CID 11133612 (PubChem CID 11133612) has the molecular formula C17H17F6FeP+ and a molecular weight of 422.13 g/mol.

Molecular Properties

Compound NameCID 11133612
PubChem CID11133612
Molecular FormulaC17H17F6FeP+
Molecular Weight422.13 g/mol
Exact Mass422.03
IUPAC Name—
SMILESCc1ccc(C)c2ccccc12.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C12H12.C5H5.F6P.Fe/c1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-8H,1-2H3;1-5H;;/q;;-1;+2
InChIKeyLIAWCCCDSYHGLW-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.13
LogP ≤ 57.86
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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Frequently Asked Questions

What is the IUPAC name of CID 11133612?
The IUPAC name of CID 11133612 (CID 11133612) is not available.
What is the SMILES notation for CID 11133612?
The canonical SMILES for CID 11133612 is Cc1ccc(C)c2ccccc12.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11133612?
The InChIKey is LIAWCCCDSYHGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C5H5.F6P.Fe/c1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-8H,1-2H3;1-5H;;/q;;-1;+2.
What are the key properties of CID 11133612?
CID 11133612 has a molecular weight of 422.13 g/mol, XLogP of 7.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11133612 is sourced from PubChem (CID 11133612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).