CID 11731620

C11H10ClF6FeP- — CID 11731620

IUPAC—
SMILESClc1ccccc1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C6H5Cl.C5H5.F6P.Fe/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-5H;1-5H;;/q;;-1;
InChIKeySPUOSSVBOVGXTQ-UHFFFAOYSA-N
MW378.46 g/mol
LogP6.74
Rot. Bonds

About CID 11731620

CID 11731620 (PubChem CID 11731620) has the molecular formula C11H10ClF6FeP- and a molecular weight of 378.46 g/mol.

Molecular Properties

Compound NameCID 11731620
PubChem CID11731620
Molecular FormulaC11H10ClF6FeP-
Molecular Weight378.46 g/mol
Exact Mass377.95
IUPAC Name—
SMILESClc1ccccc1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C6H5Cl.C5H5.F6P.Fe/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-5H;1-5H;;/q;;-1;
InChIKeySPUOSSVBOVGXTQ-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.74
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 11731620?
The IUPAC name of CID 11731620 (CID 11731620) is not available.
What is the SMILES notation for CID 11731620?
The canonical SMILES for CID 11731620 is Clc1ccccc1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 11731620?
The InChIKey is SPUOSSVBOVGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C5H5.F6P.Fe/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-5H;1-5H;;/q;;-1;.
What are the key properties of CID 11731620?
CID 11731620 has a molecular weight of 378.46 g/mol, XLogP of 6.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11731620 is sourced from PubChem (CID 11731620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).