2,2-difluoroethanesulfonic acid

C2H4F2O3S — CID 18318774

IUPAC2,2-difluoroethanesulfonic acid
SMILESO=S(=O)(O)CC(F)F
InChIInChI=1S/C2H4F2O3S/c3-2(4)1-8(5,6)7/h2H,1H2,(H,5,6,7)
InChIKeyPMZKRTYBWAJZFJ-UHFFFAOYSA-N
MW146.11 g/mol
LogP0.14
Rot. Bonds2

About 2,2-difluoroethanesulfonic acid

2,2-difluoroethanesulfonic acid (PubChem CID 18318774) has the molecular formula C2H4F2O3S and a molecular weight of 146.11 g/mol. Its IUPAC name is 2,2-difluoroethanesulfonic acid.

Molecular Properties

Compound Name2,2-difluoroethanesulfonic acid
PubChem CID18318774
Molecular FormulaC2H4F2O3S
Molecular Weight146.11 g/mol
Exact Mass145.98
IUPAC Name2,2-difluoroethanesulfonic acid
SMILESO=S(=O)(O)CC(F)F
InChIInChI=1S/C2H4F2O3S/c3-2(4)1-8(5,6)7/h2H,1H2,(H,5,6,7)
InChIKeyPMZKRTYBWAJZFJ-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 50.14
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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Related Compounds

Poly(difluoromethylene), alpha-fluoro-omega-(2-sulfoethyl)-
CID 157411
1h-Tetrafluoroethanesulfonic acid
CID 53438102
FT-Pfsa; C4H5F5O3S
CID 85694534
Ethanesulfonic acid, 2,2,2-trifluoro-
CID 3014047
Hexafluoro-isopropylsulfonic acid
CID 14637647
2-Fluoroethane-1-sulfonic acid
CID 18400379
1,1-Difluoroethanesulfonic acid
CID 21946969
2-Hydroxy-2,2-difluoroethanesulfonic acid
CID 87336752
FT-sulfonic_acid; C3H3F5O3S
CID 18991895
FT-Pfsa; C5H5F7O3S
CID 23136191
poly(difluoromethylene), alpha-fluoro-omega-(2-sulfoethyl)-, ammonium salt
CID 157412
1h-Tetra-fluoroethanesulfonic acid dihydrate
CID 129806119

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethanesulfonic acid?
The IUPAC name of 2,2-difluoroethanesulfonic acid (CID 18318774) is 2,2-difluoroethanesulfonic acid.
What is the SMILES notation for 2,2-difluoroethanesulfonic acid?
The canonical SMILES for 2,2-difluoroethanesulfonic acid is O=S(=O)(O)CC(F)F.
What is the InChIKey of 2,2-difluoroethanesulfonic acid?
The InChIKey is PMZKRTYBWAJZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O3S/c3-2(4)1-8(5,6)7/h2H,1H2,(H,5,6,7).
What are the key properties of 2,2-difluoroethanesulfonic acid?
2,2-difluoroethanesulfonic acid has a molecular weight of 146.11 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanesulfonic acid is sourced from PubChem (CID 18318774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).