phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride

CH5F4O3PSZn — CID 174954004

IUPACphosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)F.P.[Zn]
InChIInChI=1S/CHF3O3S.FH.H3P.Zn/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);1H;1H3;
InChIKeyFSWJPUYJOYJIMV-UHFFFAOYSA-N
MW269.47 g/mol
LogP0.60
Rot. Bonds

About phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride

phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride (PubChem CID 174954004) has the molecular formula CH5F4O3PSZn and a molecular weight of 269.47 g/mol. Its IUPAC name is phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride.

Molecular Properties

Compound Namephosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
PubChem CID174954004
Molecular FormulaCH5F4O3PSZn
Molecular Weight269.47 g/mol
Exact Mass267.89
IUPAC Namephosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)F.P.[Zn]
InChIInChI=1S/CHF3O3S.FH.H3P.Zn/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);1H;1H3;
InChIKeyFSWJPUYJOYJIMV-UHFFFAOYSA-N
XLogP0.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride?
The IUPAC name of phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride (CID 174954004) is phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride.
What is the SMILES notation for phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride?
The canonical SMILES for phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride is F.O=S(=O)(O)C(F)(F)F.P.[Zn].
What is the InChIKey of phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride?
The InChIKey is FSWJPUYJOYJIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O3S.FH.H3P.Zn/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);1H;1H3;.
What are the key properties of phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride?
phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride has a molecular weight of 269.47 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride is sourced from PubChem (CID 174954004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).