1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid

C5H4F8O3S — CID 58435978

IUPAC1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C5H4F8O3S/c1-2(6,7)3(8,9)4(10,11)5(12,13)17(14,15)16/h1H3,(H,14,15,16)
InChIKeyHOPCWFGGRWLRGG-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.39
Rot. Bonds4

About 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid

1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid (PubChem CID 58435978) has the molecular formula C5H4F8O3S and a molecular weight of 296.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid
PubChem CID58435978
Molecular FormulaC5H4F8O3S
Molecular Weight296.14 g/mol
Exact Mass295.98
IUPAC Name1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C5H4F8O3S/c1-2(6,7)3(8,9)4(10,11)5(12,13)17(14,15)16/h1H3,(H,14,15,16)
InChIKeyHOPCWFGGRWLRGG-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4:2 Fluorotelomer sulfonic acid
CID 20734543
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid
CID 3018003
Pfsa-H; C4H2F8O3S
CID 59736185
5H-Perfluorohexanesulfonic acid
CID 139594766
6H-Perfluoroheptanesulfonic acid
CID 139597043
4H-Perfluoropentanesulfonic acid
CID 139597747
FT-Pfsa; C4H5F5O3S
CID 85694534
1H, 1H, 2H, 2H-perfluoro(1,2-13C2)hexanesulfonate
CID 165360292
FT-Pfsa; C5H5F7O3S
CID 23136191
FT-sulfonic_acid; C5H3F9O3S
CID 85769429
1,1,2,2,3,3,4,4,5-Nonafluorohexane-1-sulfonic acid
CID 122480878
Ethylzinc nonaflate
CID 164886011

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid (CID 58435978) is 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid?
The InChIKey is HOPCWFGGRWLRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O3S/c1-2(6,7)3(8,9)4(10,11)5(12,13)17(14,15)16/h1H3,(H,14,15,16).
What are the key properties of 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid?
1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid has a molecular weight of 296.14 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoropentane-1-sulfonic acid is sourced from PubChem (CID 58435978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).