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

C4H2F8O3S — CID 3018003

IUPAC1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F8O3S/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15/h1H,(H,13,14,15)
InChIKeyUTWCWKUZICRKOA-UHFFFAOYSA-N
MW282.11 g/mol
LogP2.00
Rot. Bonds4

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

1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid (PubChem CID 3018003) has the molecular formula C4H2F8O3S and a molecular weight of 282.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
PubChem CID3018003
Molecular FormulaC4H2F8O3S
Molecular Weight282.11 g/mol
Exact Mass281.96
IUPAC Name1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F8O3S/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15/h1H,(H,13,14,15)
InChIKeyUTWCWKUZICRKOA-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 52.00
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

Perfluorobutanesulfonic acid
CID 67815
1-Butanesulfinic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-
CID 596595
Perfluoropentanesulfonic acid
CID 75922
1,1,2,2-Tetrafluoroethanesulfonic acid
CID 10176391
Potassium 1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonate
CID 23692701
1-Propanesulfonic acid, 1,1,2,3,3,3-hexafluoro-
CID 9794628
Perfluoropropanesulfonic acid
CID 9859771
Pfsa-H; C4H2F8O3S
CID 59736185
5H-Perfluorohexanesulfonic acid
CID 139594766
6H-Perfluoroheptanesulfonic acid
CID 139597043
(Perfluoropentyl)methane-1-sulfonic acid
CID 139597513
4H-Perfluoropentanesulfonic acid
CID 139597747

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid (CID 3018003) is 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
The InChIKey is UTWCWKUZICRKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O3S/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15/h1H,(H,13,14,15).
What are the key properties of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid has a molecular weight of 282.11 g/mol, XLogP of 2.00, 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-octafluorobutane-1-sulfonic acid is sourced from PubChem (CID 3018003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).