1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid

C5HF11O4S — CID 23533146

IUPAC1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O4S/c6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19/h(H,17,18,19)
InChIKeyLOMMKEOPNWFTMP-UHFFFAOYSA-N
MW366.10 g/mol
LogP2.87
Rot. Bonds4

About 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid

1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid (PubChem CID 23533146) has the molecular formula C5HF11O4S and a molecular weight of 366.10 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid
PubChem CID23533146
Molecular FormulaC5HF11O4S
Molecular Weight366.10 g/mol
Exact Mass365.94
IUPAC Name1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF11O4S/c6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19/h(H,17,18,19)
InChIKeyLOMMKEOPNWFTMP-UHFFFAOYSA-N
XLogP2.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid (CID 23533146) is 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid is O=S(=O)(O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid?
The InChIKey is LOMMKEOPNWFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O4S/c6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19/h(H,17,18,19).
What are the key properties of 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid?
1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid has a molecular weight of 366.10 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid is sourced from PubChem (CID 23533146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).