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

C3HF5O4S — CID 163324908

IUPACdifluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C3HF5O4S/c4-1(5)2(6)12-3(7,8)13(9,10)11/h(H,9,10,11)
InChIKeyNTCXRUBOSUGPFP-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.48
Rot. Bonds3

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

difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid (PubChem CID 163324908) has the molecular formula C3HF5O4S and a molecular weight of 228.09 g/mol. Its IUPAC name is difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid
PubChem CID163324908
Molecular FormulaC3HF5O4S
Molecular Weight228.09 g/mol
Exact Mass227.95
IUPAC Namedifluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C3HF5O4S/c4-1(5)2(6)12-3(7,8)13(9,10)11/h(H,9,10,11)
InChIKeyNTCXRUBOSUGPFP-UHFFFAOYSA-N
XLogP1.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.48
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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Related Compounds

1,1,2,2-Tetrafluoroethene;1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
CID 44153897
1,1,2,2-Tetrafluoro-2-(1,2,2-trifluorovinyloxy)ethanesulfonic acid
CID 11781540
Difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid
CID 22568730
Perfluoro-3-ethenyloxy-1-propanesulfonic acid
CID 22568753
1,2,2,2-Tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
CID 87648111
2,2-Difluoro-1-(1,2,2-trifluoroethenoxy)ethenesulfonic acid
CID 87788981
Difluoro(1,2,2-trifluoroethenoxyperoxy)methanesulfonic acid
CID 126494240
Difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid
CID 126494242
1,1,2,2-Tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid;hydrofluoride
CID 156540494
Difluoro-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]methanesulfonic acid
CID 163324582
[Difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethanesulfonic acid
CID 163324584
Difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid
CID 175892055

Frequently Asked Questions

What is the IUPAC name of difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid?
The IUPAC name of difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid (CID 163324908) is difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid.
What is the SMILES notation for difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid?
The canonical SMILES for difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid?
The InChIKey is NTCXRUBOSUGPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O4S/c4-1(5)2(6)12-3(7,8)13(9,10)11/h(H,9,10,11).
What are the key properties of difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid?
difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid has a molecular weight of 228.09 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid is sourced from PubChem (CID 163324908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).