calcium;strontium;chloro(fluoro)phosphinate

CaCl4F4O8P4Sr — CID 159938270

IUPACcalcium;strontium;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].[Sr+2]
InChIInChI=1S/Ca.4ClFHO2P.Sr/c;4*1-5(2,3)4;/h;4*(H,3,4);/q+2;;;;;+2/p-4
InChIKeyOANSNHNBQNYTCQ-UHFFFAOYSA-J
MW597.39 g/mol
LogP1.89
Rot. Bonds

About calcium;strontium;chloro(fluoro)phosphinate

calcium;strontium;chloro(fluoro)phosphinate (PubChem CID 159938270) has the molecular formula CaCl4F4O8P4Sr and a molecular weight of 597.39 g/mol. Its IUPAC name is calcium;strontium;chloro(fluoro)phosphinate.

Molecular Properties

Compound Namecalcium;strontium;chloro(fluoro)phosphinate
PubChem CID159938270
Molecular FormulaCaCl4F4O8P4Sr
Molecular Weight597.39 g/mol
Exact Mass595.59
IUPAC Namecalcium;strontium;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].[Sr+2]
InChIInChI=1S/Ca.4ClFHO2P.Sr/c;4*1-5(2,3)4;/h;4*(H,3,4);/q+2;;;;;+2/p-4
InChIKeyOANSNHNBQNYTCQ-UHFFFAOYSA-J
XLogP1.89
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.39
LogP ≤ 51.89
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

calcium;cadmium(2+);chloro(fluoro)phosphinate
CID 160785742
CID 173242333
CID 173242333
calcium;chloro(fluoro)phosphinate;manganese;stibane
CID 173242332
strontium;chloro-dioxido-oxo-lambda5-phosphane;europium(2+)
CID 18471728
calcium;bis(dichlorophosphinate);tetrahydrate
CID 90475593
tetracopper;tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 175200090
chloro-dioxido-oxo-λ5-phosphane;tin(2+)
CID 175266228
tris(difluorophosphinate);silver
CID 175763297
fluoro-[fluoro(oxido)phosphoryl]phosphinate
CID 23413898
pentacalcium;phosphate
CID 23104844
molybdenum diphosphate
CID 22395595
sodium chlorooxy(fluoro)phosphinate
CID 174230020

Frequently Asked Questions

What is the IUPAC name of calcium;strontium;chloro(fluoro)phosphinate?
The IUPAC name of calcium;strontium;chloro(fluoro)phosphinate (CID 159938270) is calcium;strontium;chloro(fluoro)phosphinate.
What is the SMILES notation for calcium;strontium;chloro(fluoro)phosphinate?
The canonical SMILES for calcium;strontium;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].[Sr+2].
What is the InChIKey of calcium;strontium;chloro(fluoro)phosphinate?
The InChIKey is OANSNHNBQNYTCQ-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.4ClFHO2P.Sr/c;4*1-5(2,3)4;/h;4*(H,3,4);/q+2;;;;;+2/p-4.
What are the key properties of calcium;strontium;chloro(fluoro)phosphinate?
calcium;strontium;chloro(fluoro)phosphinate has a molecular weight of 597.39 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;strontium;chloro(fluoro)phosphinate is sourced from PubChem (CID 159938270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).