magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid

C5H9F6MgO4P — CID 158730152

IUPACmagnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid
SMILESFC(F)(F)[CH-]C(F)(F)F.O=P(O)(O)O.[CH2-]C.[Mg+2]
InChIInChI=1S/C3HF6.C2H5.Mg.H3O4P/c4-2(5,6)1-3(7,8)9;1-2;;1-5(2,3)4/h1H;1H2,2H3;;(H3,1,2,3,4)/q2*-1;+2;
InChIKeyQWZHMDZSGUPJEC-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.85
Rot. Bonds

About magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid

magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid (PubChem CID 158730152) has the molecular formula C5H9F6MgO4P and a molecular weight of 302.39 g/mol. Its IUPAC name is magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid.

Molecular Properties

Compound Namemagnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid
PubChem CID158730152
Molecular FormulaC5H9F6MgO4P
Molecular Weight302.39 g/mol
Exact Mass302.00
IUPAC Namemagnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid
SMILESFC(F)(F)[CH-]C(F)(F)F.O=P(O)(O)O.[CH2-]C.[Mg+2]
InChIInChI=1S/C3HF6.C2H5.Mg.H3O4P/c4-2(5,6)1-3(7,8)9;1-2;;1-5(2,3)4/h1H;1H2,2H3;;(H3,1,2,3,4)/q2*-1;+2;
InChIKeyQWZHMDZSGUPJEC-UHFFFAOYSA-N
XLogP1.85
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;phosphoric acid;1,1,1-trifluoroethane
CID 172730635
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
sodium 1,1,1,3,3,3-hexafluoropropane
CID 178182753
bromo(trifluoro)methane;phosphoric acid
CID 172736690
(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
CID 163324645
1,1-difluoroethylphosphonic acid
CID 23183684
magnesium;hydride;phosphoric acid
CID 172995395
magnesium;hydride;phosphoric acid
CID 173011146
CID 173388644
CID 173388644
lithium;magnesium;phosphoric acid;phosphate
CID 172683948
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
alumane;ethane;phosphoric acid
CID 173118040

Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid?
The IUPAC name of magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid (CID 158730152) is magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid.
What is the SMILES notation for magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid?
The canonical SMILES for magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid is FC(F)(F)[CH-]C(F)(F)F.O=P(O)(O)O.[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid?
The InChIKey is QWZHMDZSGUPJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6.C2H5.Mg.H3O4P/c4-2(5,6)1-3(7,8)9;1-2;;1-5(2,3)4/h1H;1H2,2H3;;(H3,1,2,3,4)/q2*-1;+2;.
What are the key properties of magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid?
magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid has a molecular weight of 302.39 g/mol, XLogP of 1.85, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid is sourced from PubChem (CID 158730152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).