1,1-difluoroethoxy(difluoro)methanesulfonic acid

C3H4F4O4S — CID 58214195

IUPAC1,1-difluoroethoxy(difluoro)methanesulfonic acid
SMILESCC(F)(F)OC(F)(F)S(=O)(=O)O
InChIInChI=1S/C3H4F4O4S/c1-2(4,5)11-3(6,7)12(8,9)10/h1H3,(H,8,9,10)
InChIKeyCOOAKIAKVVVOOV-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.05
Rot. Bonds3

About 1,1-difluoroethoxy(difluoro)methanesulfonic acid

1,1-difluoroethoxy(difluoro)methanesulfonic acid (PubChem CID 58214195) has the molecular formula C3H4F4O4S and a molecular weight of 212.12 g/mol. Its IUPAC name is 1,1-difluoroethoxy(difluoro)methanesulfonic acid.

Molecular Properties

Compound Name1,1-difluoroethoxy(difluoro)methanesulfonic acid
PubChem CID58214195
Molecular FormulaC3H4F4O4S
Molecular Weight212.12 g/mol
Exact Mass211.98
IUPAC Name1,1-difluoroethoxy(difluoro)methanesulfonic acid
SMILESCC(F)(F)OC(F)(F)S(=O)(=O)O
InChIInChI=1S/C3H4F4O4S/c1-2(4,5)11-3(6,7)12(8,9)10/h1H3,(H,8,9,10)
InChIKeyCOOAKIAKVVVOOV-UHFFFAOYSA-N
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.05
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 1,1-difluoroethoxy(difluoro)methanesulfonic acid?
The IUPAC name of 1,1-difluoroethoxy(difluoro)methanesulfonic acid (CID 58214195) is 1,1-difluoroethoxy(difluoro)methanesulfonic acid.
What is the SMILES notation for 1,1-difluoroethoxy(difluoro)methanesulfonic acid?
The canonical SMILES for 1,1-difluoroethoxy(difluoro)methanesulfonic acid is CC(F)(F)OC(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1-difluoroethoxy(difluoro)methanesulfonic acid?
The InChIKey is COOAKIAKVVVOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O4S/c1-2(4,5)11-3(6,7)12(8,9)10/h1H3,(H,8,9,10).
What are the key properties of 1,1-difluoroethoxy(difluoro)methanesulfonic acid?
1,1-difluoroethoxy(difluoro)methanesulfonic acid has a molecular weight of 212.12 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethoxy(difluoro)methanesulfonic acid is sourced from PubChem (CID 58214195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).