1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid

C5H2F10O3S — CID 139597747

IUPAC1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H2F10O3S/c6-1(3(9,10)11)2(7,8)4(12,13)5(14,15)19(16,17)18/h1H,(H,16,17,18)
InChIKeyWUNJQIWWSVJSNK-UHFFFAOYSA-N
MW332.12 g/mol
LogP2.64
Rot. Bonds4

About 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid

1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid (PubChem CID 139597747) has the molecular formula C5H2F10O3S and a molecular weight of 332.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid
PubChem CID139597747
Molecular FormulaC5H2F10O3S
Molecular Weight332.12 g/mol
Exact Mass331.96
IUPAC Name1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H2F10O3S/c6-1(3(9,10)11)2(7,8)4(12,13)5(14,15)19(16,17)18/h1H,(H,16,17,18)
InChIKeyWUNJQIWWSVJSNK-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 52.64
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

Perfluorohexanesulfonic Acid
CID 67734
Perfluorobutanesulfonic acid
CID 67815
4:2 Fluorotelomer sulfonic acid
CID 20734543
Perfluoropentanesulfonic acid
CID 75922
1,1,2,2-Tetrafluoroethanesulfonic acid
CID 10176391
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid
CID 3018003
1-Propanesulfonic acid, 1,1,2,3,3,3-hexafluoro-
CID 9794628
Pfsa-H; C4H2F8O3S
CID 59736185
9H-Perfluorodecanesulfonic acid
CID 139594539
5H-Perfluorohexanesulfonic acid
CID 139594766
7H-Perfluorooctanesulfonic acid
CID 139596859
6H-Perfluoroheptanesulfonic acid
CID 139597043

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid?
The IUPAC name of 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid (CID 139597747) is 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid?
The InChIKey is WUNJQIWWSVJSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O3S/c6-1(3(9,10)11)2(7,8)4(12,13)5(14,15)19(16,17)18/h1H,(H,16,17,18).
What are the key properties of 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid?
1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid has a molecular weight of 332.12 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid is sourced from PubChem (CID 139597747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).