calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride

C5H4CaF6O2 — CID 173351670

IUPACcalcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
SMILESO=C(CC(=O)C(F)(F)F)C(F)(F)F.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H2F6O2.Ca.2H/c6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h1H2;;;/q;+2;2*-1
InChIKeyBFSDKCLLBIVAJN-UHFFFAOYSA-N
MW250.15 g/mol
LogP1.48
Rot. Bonds2

About calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride

calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride (PubChem CID 173351670) has the molecular formula C5H4CaF6O2 and a molecular weight of 250.15 g/mol. Its IUPAC name is calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride.

Molecular Properties

Compound Namecalcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
PubChem CID173351670
Molecular FormulaC5H4CaF6O2
Molecular Weight250.15 g/mol
Exact Mass249.97
IUPAC Namecalcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
SMILESO=C(CC(=O)C(F)(F)F)C(F)(F)F.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H2F6O2.Ca.2H/c6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h1H2;;;/q;+2;2*-1
InChIKeyBFSDKCLLBIVAJN-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride?
The IUPAC name of calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride (CID 173351670) is calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride.
What is the SMILES notation for calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride?
The canonical SMILES for calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride is O=C(CC(=O)C(F)(F)F)C(F)(F)F.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride?
The InChIKey is BFSDKCLLBIVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2.Ca.2H/c6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h1H2;;;/q;+2;2*-1.
What are the key properties of calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride?
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride has a molecular weight of 250.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride is sourced from PubChem (CID 173351670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).