calcium;fluoro dihydrogen phosphate;hydride

H4CaFO4P — CID 174626748

IUPACcalcium;fluoro dihydrogen phosphate;hydride
SMILESO=P(O)(O)OF.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.FH2O4P.2H/c;1-5-6(2,3)4;;/h;(H2,2,3,4);;/q+2;;2*-1
InChIKeyBRGNGUKTKRCQGH-UHFFFAOYSA-N
MW158.08 g/mol
LogP-0.18
Rot. Bonds1

About calcium;fluoro dihydrogen phosphate;hydride

calcium;fluoro dihydrogen phosphate;hydride (PubChem CID 174626748) has the molecular formula H4CaFO4P and a molecular weight of 158.08 g/mol. Its IUPAC name is calcium;fluoro dihydrogen phosphate;hydride.

Molecular Properties

Compound Namecalcium;fluoro dihydrogen phosphate;hydride
PubChem CID174626748
Molecular FormulaH4CaFO4P
Molecular Weight158.08 g/mol
Exact Mass157.95
IUPAC Namecalcium;fluoro dihydrogen phosphate;hydride
SMILESO=P(O)(O)OF.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.FH2O4P.2H/c;1-5-6(2,3)4;;/h;(H2,2,3,4);;/q+2;;2*-1
InChIKeyBRGNGUKTKRCQGH-UHFFFAOYSA-N
XLogP-0.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.08
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;magnesium;fluoro dihydrogen phosphate;hydride
CID 174988719
sodium;fluoro dihydrogen phosphate;hydride;iron
CID 173004802
fluoro dihydrogen phosphate;iron
CID 173042796
fluoro dihydrogen phosphate;platinum
CID 174846501
ethene;fluoro dihydrogen phosphate
CID 87187087
azane;fluoro dihydrogen phosphate;1,2,3,4,5,6-hexachlorocyclohexane
CID 87442574
chloro(fluorooxy)phosphinic acid;chlorophosphonic acid
CID 175540690
calcium;hydride;hydroxy dihydrogen phosphate
CID 174606919
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
CID 175271302
undecacalcium;hydride;phosphoric acid
CID 173326872
fluorooxy dihydrogen phosphate
CID 150692430

Frequently Asked Questions

What is the IUPAC name of calcium;fluoro dihydrogen phosphate;hydride?
The IUPAC name of calcium;fluoro dihydrogen phosphate;hydride (CID 174626748) is calcium;fluoro dihydrogen phosphate;hydride.
What is the SMILES notation for calcium;fluoro dihydrogen phosphate;hydride?
The canonical SMILES for calcium;fluoro dihydrogen phosphate;hydride is O=P(O)(O)OF.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;fluoro dihydrogen phosphate;hydride?
The InChIKey is BRGNGUKTKRCQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.FH2O4P.2H/c;1-5-6(2,3)4;;/h;(H2,2,3,4);;/q+2;;2*-1.
What are the key properties of calcium;fluoro dihydrogen phosphate;hydride?
calcium;fluoro dihydrogen phosphate;hydride has a molecular weight of 158.08 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;fluoro dihydrogen phosphate;hydride is sourced from PubChem (CID 174626748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).