1,2-difluoroethenyl hydrogen sulfate

C2H2F2O4S — CID 172754719

IUPAC1,2-difluoroethenyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)=CF
InChIInChI=1S/C2H2F2O4S/c3-1-2(4)8-9(5,6)7/h1H,(H,5,6,7)
InChIKeyKWAGINHJLFGFAK-UHFFFAOYSA-N
MW160.10 g/mol
LogP0.54
Rot. Bonds2

About 1,2-difluoroethenyl hydrogen sulfate

1,2-difluoroethenyl hydrogen sulfate (PubChem CID 172754719) has the molecular formula C2H2F2O4S and a molecular weight of 160.10 g/mol. Its IUPAC name is 1,2-difluoroethenyl hydrogen sulfate.

Molecular Properties

Compound Name1,2-difluoroethenyl hydrogen sulfate
PubChem CID172754719
Molecular FormulaC2H2F2O4S
Molecular Weight160.10 g/mol
Exact Mass159.96
IUPAC Name1,2-difluoroethenyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)=CF
InChIInChI=1S/C2H2F2O4S/c3-1-2(4)8-9(5,6)7/h1H,(H,5,6,7)
InChIKeyKWAGINHJLFGFAK-UHFFFAOYSA-N
XLogP0.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethenyl hydrogen sulfate?
The IUPAC name of 1,2-difluoroethenyl hydrogen sulfate (CID 172754719) is 1,2-difluoroethenyl hydrogen sulfate.
What is the SMILES notation for 1,2-difluoroethenyl hydrogen sulfate?
The canonical SMILES for 1,2-difluoroethenyl hydrogen sulfate is O=S(=O)(O)OC(F)=CF.
What is the InChIKey of 1,2-difluoroethenyl hydrogen sulfate?
The InChIKey is KWAGINHJLFGFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O4S/c3-1-2(4)8-9(5,6)7/h1H,(H,5,6,7).
What are the key properties of 1,2-difluoroethenyl hydrogen sulfate?
1,2-difluoroethenyl hydrogen sulfate has a molecular weight of 160.10 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethenyl hydrogen sulfate is sourced from PubChem (CID 172754719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).