furan;hydron;trifluoromethanesulfonic acid

C5H6F3O4S+ — CID 174441054

IUPACfuran;hydron;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[H+].c1ccoc1
InChIInChI=1S/C4H4O.CHF3O3S/c1-2-4-5-3-1;2-1(3,4)8(5,6)7/h1-4H;(H,5,6,7)/p+1
InChIKeyHCMYCXMYPXRTOR-UHFFFAOYSA-O
MW219.16 g/mol
LogP1.79
Rot. Bonds

About furan;hydron;trifluoromethanesulfonic acid

furan;hydron;trifluoromethanesulfonic acid (PubChem CID 174441054) has the molecular formula C5H6F3O4S+ and a molecular weight of 219.16 g/mol. Its IUPAC name is furan;hydron;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namefuran;hydron;trifluoromethanesulfonic acid
PubChem CID174441054
Molecular FormulaC5H6F3O4S+
Molecular Weight219.16 g/mol
Exact Mass218.99
IUPAC Namefuran;hydron;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[H+].c1ccoc1
InChIInChI=1S/C4H4O.CHF3O3S/c1-2-4-5-3-1;2-1(3,4)8(5,6)7/h1-4H;(H,5,6,7)/p+1
InChIKeyHCMYCXMYPXRTOR-UHFFFAOYSA-O
XLogP1.79
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 furan;hydron;trifluoromethanesulfonic acid?
The IUPAC name of furan;hydron;trifluoromethanesulfonic acid (CID 174441054) is furan;hydron;trifluoromethanesulfonic acid.
What is the SMILES notation for furan;hydron;trifluoromethanesulfonic acid?
The canonical SMILES for furan;hydron;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.[H+].c1ccoc1.
What is the InChIKey of furan;hydron;trifluoromethanesulfonic acid?
The InChIKey is HCMYCXMYPXRTOR-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H4O.CHF3O3S/c1-2-4-5-3-1;2-1(3,4)8(5,6)7/h1-4H;(H,5,6,7)/p+1.
What are the key properties of furan;hydron;trifluoromethanesulfonic acid?
furan;hydron;trifluoromethanesulfonic acid has a molecular weight of 219.16 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;hydron;trifluoromethanesulfonic acid is sourced from PubChem (CID 174441054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).