2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid

C4HF5O4S — CID 87788981

IUPAC2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid
SMILESO=S(=O)(O)C(OC(F)=C(F)F)=C(F)F
InChIInChI=1S/C4HF5O4S/c5-1(6)3(9)13-4(2(7)8)14(10,11)12/h(H,10,11,12)
InChIKeyLMSJNECTMUAVLL-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.99
Rot. Bonds3

About 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid

2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid (PubChem CID 87788981) has the molecular formula C4HF5O4S and a molecular weight of 240.10 g/mol. Its IUPAC name is 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid.

Molecular Properties

Compound Name2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid
PubChem CID87788981
Molecular FormulaC4HF5O4S
Molecular Weight240.10 g/mol
Exact Mass239.95
IUPAC Name2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid
SMILESO=S(=O)(O)C(OC(F)=C(F)F)=C(F)F
InChIInChI=1S/C4HF5O4S/c5-1(6)3(9)13-4(2(7)8)14(10,11)12/h(H,10,11,12)
InChIKeyLMSJNECTMUAVLL-UHFFFAOYSA-N
XLogP1.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.99
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 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid?
The IUPAC name of 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid (CID 87788981) is 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid.
What is the SMILES notation for 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid?
The canonical SMILES for 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid is O=S(=O)(O)C(OC(F)=C(F)F)=C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid?
The InChIKey is LMSJNECTMUAVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O4S/c5-1(6)3(9)13-4(2(7)8)14(10,11)12/h(H,10,11,12).
What are the key properties of 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid?
2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid has a molecular weight of 240.10 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid is sourced from PubChem (CID 87788981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).