trifluoromethanesulfonic acid

C2H2F6O6S2 — CID 22218971

IUPACtrifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/2CHF3O3S/c2*2-1(3,4)8(5,6)7/h2*(H,5,6,7)
InChIKeyYOIAWAIKYVEKMF-UHFFFAOYSA-N
MW300.15 g/mol
LogP0.79
Rot. Bonds

About trifluoromethanesulfonic acid

trifluoromethanesulfonic acid (PubChem CID 22218971) has the molecular formula C2H2F6O6S2 and a molecular weight of 300.15 g/mol. Its IUPAC name is trifluoromethanesulfonic acid.

Molecular Properties

Compound Nametrifluoromethanesulfonic acid
PubChem CID22218971
Molecular FormulaC2H2F6O6S2
Molecular Weight300.15 g/mol
Exact Mass299.92
IUPAC Nametrifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/2CHF3O3S/c2*2-1(3,4)8(5,6)7/h2*(H,5,6,7)
InChIKeyYOIAWAIKYVEKMF-UHFFFAOYSA-N
XLogP0.79
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonic acid?
The IUPAC name of trifluoromethanesulfonic acid (CID 22218971) is trifluoromethanesulfonic acid.
What is the SMILES notation for trifluoromethanesulfonic acid?
The canonical SMILES for trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonic acid?
The InChIKey is YOIAWAIKYVEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHF3O3S/c2*2-1(3,4)8(5,6)7/h2*(H,5,6,7).
What are the key properties of trifluoromethanesulfonic acid?
trifluoromethanesulfonic acid has a molecular weight of 300.15 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonic acid is sourced from PubChem (CID 22218971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).