hafnium;trifluoromethanesulfonic acid;hydrate

CH3F3HfO4S — CID 174756468

IUPAChafnium;trifluoromethanesulfonic acid;hydrate
SMILESO.O=S(=O)(O)C(F)(F)F.[Hf]
InChIInChI=1S/CHF3O3S.Hf.H2O/c2-1(3,4)8(5,6)7;;/h(H,5,6,7);;1H2
InChIKeyOBDKLYKNDCESPS-UHFFFAOYSA-N
MW346.58 g/mol
LogP-0.43
Rot. Bonds

About hafnium;trifluoromethanesulfonic acid;hydrate

hafnium;trifluoromethanesulfonic acid;hydrate (PubChem CID 174756468) has the molecular formula CH3F3HfO4S and a molecular weight of 346.58 g/mol. Its IUPAC name is hafnium;trifluoromethanesulfonic acid;hydrate.

Molecular Properties

Compound Namehafnium;trifluoromethanesulfonic acid;hydrate
PubChem CID174756468
Molecular FormulaCH3F3HfO4S
Molecular Weight346.58 g/mol
Exact Mass347.92
IUPAC Namehafnium;trifluoromethanesulfonic acid;hydrate
SMILESO.O=S(=O)(O)C(F)(F)F.[Hf]
InChIInChI=1S/CHF3O3S.Hf.H2O/c2-1(3,4)8(5,6)7;;/h(H,5,6,7);;1H2
InChIKeyOBDKLYKNDCESPS-UHFFFAOYSA-N
XLogP-0.43
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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trifluoromethanesulfonic acid;zinc
CID 45051803
CID 160972181
CID 160972181
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
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CID 161076085
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Frequently Asked Questions

What is the IUPAC name of hafnium;trifluoromethanesulfonic acid;hydrate?
The IUPAC name of hafnium;trifluoromethanesulfonic acid;hydrate (CID 174756468) is hafnium;trifluoromethanesulfonic acid;hydrate.
What is the SMILES notation for hafnium;trifluoromethanesulfonic acid;hydrate?
The canonical SMILES for hafnium;trifluoromethanesulfonic acid;hydrate is O.O=S(=O)(O)C(F)(F)F.[Hf].
What is the InChIKey of hafnium;trifluoromethanesulfonic acid;hydrate?
The InChIKey is OBDKLYKNDCESPS-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O3S.Hf.H2O/c2-1(3,4)8(5,6)7;;/h(H,5,6,7);;1H2.
What are the key properties of hafnium;trifluoromethanesulfonic acid;hydrate?
hafnium;trifluoromethanesulfonic acid;hydrate has a molecular weight of 346.58 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;trifluoromethanesulfonic acid;hydrate is sourced from PubChem (CID 174756468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).