1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid

C8H2F6O3S — CID 139967626

IUPAC1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid
SMILESO=S(=O)(O)C(F)=C(F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H2F6O3S/c9-3-1-2(4(10)7(13)6(3)12)5(11)8(14)18(15,16)17/h1H,(H,15,16,17)
InChIKeyWGYOWYHADRDRLY-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.70
Rot. Bonds2

About 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid

1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid (PubChem CID 139967626) has the molecular formula C8H2F6O3S and a molecular weight of 292.16 g/mol. Its IUPAC name is 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid.

Molecular Properties

Compound Name1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid
PubChem CID139967626
Molecular FormulaC8H2F6O3S
Molecular Weight292.16 g/mol
Exact Mass291.96
IUPAC Name1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid
SMILESO=S(=O)(O)C(F)=C(F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H2F6O3S/c9-3-1-2(4(10)7(13)6(3)12)5(11)8(14)18(15,16)17/h1H,(H,15,16,17)
InChIKeyWGYOWYHADRDRLY-UHFFFAOYSA-N
XLogP2.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
hydroxy-methylidene-oxo-(2,3,4,5-tetrafluorophenyl)-λ6-sulfane
CID 57124852
sodium 2,3,4,5-tetrafluorobenzoate
CID 23675288
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
CID 130920299
[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium
CID 6347219
2,3,5,6-tetrafluorobenzenesulfonic acid
CID 12504399
trimethylstannyl 2,3,4,5-tetrafluorobenzoate
CID 71422031
CID 121362412
CID 121362412
2,3,4,5-tetrafluorobenzoyl azide
CID 56933865
CID 172801487
CID 172801487
2,3,4,5-tetrafluorobenzenesulfonyl chloride
CID 22326053
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid?
The IUPAC name of 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid (CID 139967626) is 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid.
What is the SMILES notation for 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid?
The canonical SMILES for 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid is O=S(=O)(O)C(F)=C(F)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid?
The InChIKey is WGYOWYHADRDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6O3S/c9-3-1-2(4(10)7(13)6(3)12)5(11)8(14)18(15,16)17/h1H,(H,15,16,17).
What are the key properties of 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid?
1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid has a molecular weight of 292.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-2-(2,3,4,5-tetrafluorophenyl)ethenesulfonic acid is sourced from PubChem (CID 139967626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).