2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid

C8H10F8O3S — CID 134206425

IUPAC2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C8H10F8O3S/c9-2(1-20(17,18)19)3(10)4(11)5(12)6(13)7(14)8(15)16/h2-8H,1H2,(H,17,18,19)
InChIKeyXBXLPZXBASPAIN-UHFFFAOYSA-N
MW338.22 g/mol
LogP2.17
Rot. Bonds8

About 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid

2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid (PubChem CID 134206425) has the molecular formula C8H10F8O3S and a molecular weight of 338.22 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid.

Molecular Properties

Compound Name2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid
PubChem CID134206425
Molecular FormulaC8H10F8O3S
Molecular Weight338.22 g/mol
Exact Mass338.02
IUPAC Name2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C8H10F8O3S/c9-2(1-20(17,18)19)3(10)4(11)5(12)6(13)7(14)8(15)16/h2-8H,1H2,(H,17,18,19)
InChIKeyXBXLPZXBASPAIN-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6,7,8,9,10,11,12,12-dodecafluorododecane-1-sulfonic acid;prop-2-en-1-amine
CID 175160070
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine
CID 175164014
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonate;tetraethylazanium
CID 134207072
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11514107
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid
CID 163324532
1,2,3,4,5,6,8-heptafluorooctane-1-sulfonic acid
CID 87182098
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid?
The IUPAC name of 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid (CID 134206425) is 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid.
What is the SMILES notation for 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid?
The canonical SMILES for 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid is O=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid?
The InChIKey is XBXLPZXBASPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O3S/c9-2(1-20(17,18)19)3(10)4(11)5(12)6(13)7(14)8(15)16/h2-8H,1H2,(H,17,18,19).
What are the key properties of 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid?
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid has a molecular weight of 338.22 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid is sourced from PubChem (CID 134206425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).