1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid

C2H3F7O3S2 — CID 14508342

IUPAC1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)CS(F)(F)(F)(F)F
InChIInChI=1S/C2H3F7O3S2/c3-2(4,13(10,11)12)1-14(5,6,7,8)9/h1H2,(H,10,11,12)
InChIKeySAXAKXFOBMNPBK-UHFFFAOYSA-N
MW272.16 g/mol
LogP2.77
Rot. Bonds3

About 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid

1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid (PubChem CID 14508342) has the molecular formula C2H3F7O3S2 and a molecular weight of 272.16 g/mol. Its IUPAC name is 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid.

Molecular Properties

Compound Name1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
PubChem CID14508342
Molecular FormulaC2H3F7O3S2
Molecular Weight272.16 g/mol
Exact Mass271.94
IUPAC Name1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)CS(F)(F)(F)(F)F
InChIInChI=1S/C2H3F7O3S2/c3-2(4,13(10,11)12)1-14(5,6,7,8)9/h1H2,(H,10,11,12)
InChIKeySAXAKXFOBMNPBK-UHFFFAOYSA-N
XLogP2.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 52.77
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 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The IUPAC name of 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid (CID 14508342) is 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid.
What is the SMILES notation for 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The canonical SMILES for 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid is O=S(=O)(O)C(F)(F)CS(F)(F)(F)(F)F.
What is the InChIKey of 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
The InChIKey is SAXAKXFOBMNPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F7O3S2/c3-2(4,13(10,11)12)1-14(5,6,7,8)9/h1H2,(H,10,11,12).
What are the key properties of 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid?
1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid has a molecular weight of 272.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(pentafluoro-λ6-sulfanyl)ethanesulfonic acid is sourced from PubChem (CID 14508342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).