2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid

C6H7F7O5S — CID 58214139

IUPAC2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid
SMILESO=S(=O)(O)CC(F)(F)OC(F)(COCF)C(F)(F)F
InChIInChI=1S/C6H7F7O5S/c7-3-17-1-4(8,6(11,12)13)18-5(9,10)2-19(14,15)16/h1-3H2,(H,14,15,16)
InChIKeyDACGPAOZUVZFCT-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.66
Rot. Bonds7

About 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid

2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid (PubChem CID 58214139) has the molecular formula C6H7F7O5S and a molecular weight of 324.17 g/mol. Its IUPAC name is 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid
PubChem CID58214139
Molecular FormulaC6H7F7O5S
Molecular Weight324.17 g/mol
Exact Mass323.99
IUPAC Name2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid
SMILESO=S(=O)(O)CC(F)(F)OC(F)(COCF)C(F)(F)F
InChIInChI=1S/C6H7F7O5S/c7-3-17-1-4(8,6(11,12)13)18-5(9,10)2-19(14,15)16/h1-3H2,(H,14,15,16)
InChIKeyDACGPAOZUVZFCT-UHFFFAOYSA-N
XLogP1.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid?
The IUPAC name of 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid (CID 58214139) is 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid.
What is the SMILES notation for 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid?
The canonical SMILES for 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid is O=S(=O)(O)CC(F)(F)OC(F)(COCF)C(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid?
The InChIKey is DACGPAOZUVZFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O5S/c7-3-17-1-4(8,6(11,12)13)18-5(9,10)2-19(14,15)16/h1-3H2,(H,14,15,16).
What are the key properties of 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid?
2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid has a molecular weight of 324.17 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[1,1,1,2-tetrafluoro-3-(fluoromethoxy)propan-2-yl]oxyethanesulfonic acid is sourced from PubChem (CID 58214139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).