2,3,4,5,6,9-hexafluorononane-1-sulfonic acid

C9H14F6O3S — CID 134206325

IUPAC2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C9H14F6O3S/c10-3-1-2-5(11)7(13)9(15)8(14)6(12)4-19(16,17)18/h5-9H,1-4H2,(H,16,17,18)
InChIKeyOIWUVHWXBPZVPE-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.31
Rot. Bonds9

About 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid

2,3,4,5,6,9-hexafluorononane-1-sulfonic acid (PubChem CID 134206325) has the molecular formula C9H14F6O3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid.

Molecular Properties

Compound Name2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
PubChem CID134206325
Molecular FormulaC9H14F6O3S
Molecular Weight316.26 g/mol
Exact Mass316.06
IUPAC Name2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C9H14F6O3S/c10-3-1-2-5(11)7(13)9(15)8(14)6(12)4-19(16,17)18/h5-9H,1-4H2,(H,16,17,18)
InChIKeyOIWUVHWXBPZVPE-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.31
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

2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175528961
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonic acid
CID 134206425
2,3,4,5,6,7,8,9,10-nonafluorodecane-1-sulfonic acid;prop-2-en-1-amine
CID 175164014
2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
CID 175164569
2,3,4,5,6,7,8,9,10,11,12,12-dodecafluorododecane-1-sulfonic acid;prop-2-en-1-amine
CID 175160070

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid?
The IUPAC name of 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid (CID 134206325) is 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid.
What is the SMILES notation for 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid?
The canonical SMILES for 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid is O=S(=O)(O)CC(F)C(F)C(F)C(F)C(F)CCCF.
What is the InChIKey of 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid?
The InChIKey is OIWUVHWXBPZVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O3S/c10-3-1-2-5(11)7(13)9(15)8(14)6(12)4-19(16,17)18/h5-9H,1-4H2,(H,16,17,18).
What are the key properties of 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid?
2,3,4,5,6,9-hexafluorononane-1-sulfonic acid has a molecular weight of 316.26 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexafluorononane-1-sulfonic acid is sourced from PubChem (CID 134206325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).