1,2,2,2-tetrafluoroethanesulfonic acid

C2H2F4O3S — CID 53438102

IUPAC1,2,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)C(F)(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(2(4,5)6)10(7,8)9/h1H,(H,7,8,9)
InChIKeyDFXIGNRYXLVEDF-UHFFFAOYSA-N
MW182.09 g/mol
LogP0.73
Rot. Bonds1

About 1,2,2,2-tetrafluoroethanesulfonic acid

1,2,2,2-tetrafluoroethanesulfonic acid (PubChem CID 53438102) has the molecular formula C2H2F4O3S and a molecular weight of 182.09 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name1,2,2,2-tetrafluoroethanesulfonic acid
PubChem CID53438102
Molecular FormulaC2H2F4O3S
Molecular Weight182.09 g/mol
Exact Mass181.97
IUPAC Name1,2,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)C(F)(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(2(4,5)6)10(7,8)9/h1H,(H,7,8,9)
InChIKeyDFXIGNRYXLVEDF-UHFFFAOYSA-N
XLogP0.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,2,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 1,2,2,2-tetrafluoroethanesulfonic acid (CID 53438102) is 1,2,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 1,2,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 1,2,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is DFXIGNRYXLVEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O3S/c3-1(2(4,5)6)10(7,8)9/h1H,(H,7,8,9).
What are the key properties of 1,2,2,2-tetrafluoroethanesulfonic acid?
1,2,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 182.09 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 53438102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).