[(Z)-1,2-difluoroethenyl] hydrogen sulfate

C2H2F2O4S — CID 156781575

IUPAC[(Z)-1,2-difluoroethenyl] hydrogen sulfate
SMILESO=S(=O)(O)O/C(F)=C/F
InChIInChI=1S/C2H2F2O4S/c3-1-2(4)8-9(5,6)7/h1H,(H,5,6,7)/b2-1+
InChIKeyKWAGINHJLFGFAK-OWOJBTEDSA-N
MW160.10 g/mol
LogP0.54
Rot. Bonds2

About [(Z)-1,2-difluoroethenyl] hydrogen sulfate

[(Z)-1,2-difluoroethenyl] hydrogen sulfate (PubChem CID 156781575) has the molecular formula C2H2F2O4S and a molecular weight of 160.10 g/mol. Its IUPAC name is [(Z)-1,2-difluoroethenyl] hydrogen sulfate.

Molecular Properties

Compound Name[(Z)-1,2-difluoroethenyl] hydrogen sulfate
PubChem CID156781575
Molecular FormulaC2H2F2O4S
Molecular Weight160.10 g/mol
Exact Mass159.96
IUPAC Name[(Z)-1,2-difluoroethenyl] hydrogen sulfate
SMILESO=S(=O)(O)O/C(F)=C/F
InChIInChI=1S/C2H2F2O4S/c3-1-2(4)8-9(5,6)7/h1H,(H,5,6,7)/b2-1+
InChIKeyKWAGINHJLFGFAK-OWOJBTEDSA-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 [(Z)-1,2-difluoroethenyl] hydrogen sulfate?
The IUPAC name of [(Z)-1,2-difluoroethenyl] hydrogen sulfate (CID 156781575) is [(Z)-1,2-difluoroethenyl] hydrogen sulfate.
What is the SMILES notation for [(Z)-1,2-difluoroethenyl] hydrogen sulfate?
The canonical SMILES for [(Z)-1,2-difluoroethenyl] hydrogen sulfate is O=S(=O)(O)O/C(F)=C/F.
What is the InChIKey of [(Z)-1,2-difluoroethenyl] hydrogen sulfate?
The InChIKey is KWAGINHJLFGFAK-OWOJBTEDSA-N. The full InChI is InChI=1S/C2H2F2O4S/c3-1-2(4)8-9(5,6)7/h1H,(H,5,6,7)/b2-1+.
What are the key properties of [(Z)-1,2-difluoroethenyl] hydrogen sulfate?
[(Z)-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 [(Z)-1,2-difluoroethenyl] hydrogen sulfate is sourced from PubChem (CID 156781575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).