difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid

C5HF9O5S — CID 163324582

IUPACdifluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C5HF9O5S/c6-1(7)2(8)18-4(12,3(9,10)11)19-5(13,14)20(15,16)17/h(H,15,16,17)
InChIKeyNJNUOCKFXJIREL-UHFFFAOYSA-N
MW344.11 g/mol
LogP2.68
Rot. Bonds5

About difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid

difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid (PubChem CID 163324582) has the molecular formula C5HF9O5S and a molecular weight of 344.11 g/mol. Its IUPAC name is difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid.

Molecular Properties

Compound Namedifluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid
PubChem CID163324582
Molecular FormulaC5HF9O5S
Molecular Weight344.11 g/mol
Exact Mass343.94
IUPAC Namedifluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C5HF9O5S/c6-1(7)2(8)18-4(12,3(9,10)11)19-5(13,14)20(15,16)17/h(H,15,16,17)
InChIKeyNJNUOCKFXJIREL-UHFFFAOYSA-N
XLogP2.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid?
The IUPAC name of difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid (CID 163324582) is difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid.
What is the SMILES notation for difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid?
The canonical SMILES for difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F.
What is the InChIKey of difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid?
The InChIKey is NJNUOCKFXJIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O5S/c6-1(7)2(8)18-4(12,3(9,10)11)19-5(13,14)20(15,16)17/h(H,15,16,17).
What are the key properties of difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid?
difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid has a molecular weight of 344.11 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid is sourced from PubChem (CID 163324582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).