calcium;cadmium(2+);chloro(fluoro)phosphinate

CaCdCl4F4O8P4 — CID 160785742

IUPACcalcium;cadmium(2+);chloro(fluoro)phosphinate
SMILESO=P([O-])(F)Cl.O=P([O-])(F)Cl.O=P([O-])(F)Cl.O=P([O-])(F)Cl.[Ca+2].[Cd+2]
InChIInChI=1S/Ca.Cd.4ClFHO2P/c;;4*1-5(2,3)4/h;;4*(H,3,4)/q2*+2;;;;/p-4
InChIKeySBEKMOSRFNMCNI-UHFFFAOYSA-J
MW622.18 g/mol
LogP2.27
Rot. Bonds

About calcium;cadmium(2+);chloro(fluoro)phosphinate

calcium;cadmium(2+);chloro(fluoro)phosphinate (PubChem CID 160785742) has the molecular formula CaCdCl4F4O8P4 and a molecular weight of 622.18 g/mol. Its IUPAC name is calcium;cadmium(2+);chloro(fluoro)phosphinate.

Molecular Properties

Compound Namecalcium;cadmium(2+);chloro(fluoro)phosphinate
PubChem CID160785742
Molecular FormulaCaCdCl4F4O8P4
Molecular Weight622.18 g/mol
Exact Mass621.59
IUPAC Namecalcium;cadmium(2+);chloro(fluoro)phosphinate
SMILESO=P([O-])(F)Cl.O=P([O-])(F)Cl.O=P([O-])(F)Cl.O=P([O-])(F)Cl.[Ca+2].[Cd+2]
InChIInChI=1S/Ca.Cd.4ClFHO2P/c;;4*1-5(2,3)4/h;;4*(H,3,4)/q2*+2;;;;/p-4
InChIKeySBEKMOSRFNMCNI-UHFFFAOYSA-J
XLogP2.27
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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tetracopper;tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
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CID 175266228
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CID 23413898
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CID 22395595
pentacalcium;phosphate
CID 23104844
strontium;chloro-dioxido-oxo-lambda5-phosphane;europium(2+)
CID 18471728
lithium;fluoro-dioxido-oxo-λ5-phosphane;iron(2+)
CID 158027187

Frequently Asked Questions

What is the IUPAC name of calcium;cadmium(2+);chloro(fluoro)phosphinate?
The IUPAC name of calcium;cadmium(2+);chloro(fluoro)phosphinate (CID 160785742) is calcium;cadmium(2+);chloro(fluoro)phosphinate.
What is the SMILES notation for calcium;cadmium(2+);chloro(fluoro)phosphinate?
The canonical SMILES for calcium;cadmium(2+);chloro(fluoro)phosphinate is O=P([O-])(F)Cl.O=P([O-])(F)Cl.O=P([O-])(F)Cl.O=P([O-])(F)Cl.[Ca+2].[Cd+2].
What is the InChIKey of calcium;cadmium(2+);chloro(fluoro)phosphinate?
The InChIKey is SBEKMOSRFNMCNI-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.Cd.4ClFHO2P/c;;4*1-5(2,3)4/h;;4*(H,3,4)/q2*+2;;;;/p-4.
What are the key properties of calcium;cadmium(2+);chloro(fluoro)phosphinate?
calcium;cadmium(2+);chloro(fluoro)phosphinate has a molecular weight of 622.18 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;cadmium(2+);chloro(fluoro)phosphinate is sourced from PubChem (CID 160785742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).