difluoro(trifluoromethoxy)methanesulfonic acid

C2HF5O4S — CID 165363144

IUPACdifluoro(trifluoromethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)F
InChIInChI=1S/C2HF5O4S/c3-1(4,5)11-2(6,7)12(8,9)10/h(H,8,9,10)
InChIKeyYHBLMQUQIHYSRV-UHFFFAOYSA-N
MW216.08 g/mol
LogP0.96
Rot. Bonds2

About difluoro(trifluoromethoxy)methanesulfonic acid

difluoro(trifluoromethoxy)methanesulfonic acid (PubChem CID 165363144) has the molecular formula C2HF5O4S and a molecular weight of 216.08 g/mol. Its IUPAC name is difluoro(trifluoromethoxy)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(trifluoromethoxy)methanesulfonic acid
PubChem CID165363144
Molecular FormulaC2HF5O4S
Molecular Weight216.08 g/mol
Exact Mass215.95
IUPAC Namedifluoro(trifluoromethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)F
InChIInChI=1S/C2HF5O4S/c3-1(4,5)11-2(6,7)12(8,9)10/h(H,8,9,10)
InChIKeyYHBLMQUQIHYSRV-UHFFFAOYSA-N
XLogP0.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro(trifluoromethoxy)methanesulfonic acid?
The IUPAC name of difluoro(trifluoromethoxy)methanesulfonic acid (CID 165363144) is difluoro(trifluoromethoxy)methanesulfonic acid.
What is the SMILES notation for difluoro(trifluoromethoxy)methanesulfonic acid?
The canonical SMILES for difluoro(trifluoromethoxy)methanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)F.
What is the InChIKey of difluoro(trifluoromethoxy)methanesulfonic acid?
The InChIKey is YHBLMQUQIHYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O4S/c3-1(4,5)11-2(6,7)12(8,9)10/h(H,8,9,10).
What are the key properties of difluoro(trifluoromethoxy)methanesulfonic acid?
difluoro(trifluoromethoxy)methanesulfonic acid has a molecular weight of 216.08 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(trifluoromethoxy)methanesulfonic acid is sourced from PubChem (CID 165363144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).