azane;9,9,9-trifluorononane-1-sulfonic acid

C9H20F3NO3S — CID 171929032

IUPACazane;9,9,9-trifluorononane-1-sulfonic acid
SMILESN.O=S(=O)(O)CCCCCCCCC(F)(F)F
InChIInChI=1S/C9H17F3O3S.H3N/c10-9(11,12)7-5-3-1-2-4-6-8-16(13,14)15;/h1-8H2,(H,13,14,15);1H3
InChIKeyUEJFVLKBWMUODK-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.33
Rot. Bonds8

About azane;9,9,9-trifluorononane-1-sulfonic acid

azane;9,9,9-trifluorononane-1-sulfonic acid (PubChem CID 171929032) has the molecular formula C9H20F3NO3S and a molecular weight of 279.32 g/mol. Its IUPAC name is azane;9,9,9-trifluorononane-1-sulfonic acid.

Molecular Properties

Compound Nameazane;9,9,9-trifluorononane-1-sulfonic acid
PubChem CID171929032
Molecular FormulaC9H20F3NO3S
Molecular Weight279.32 g/mol
Exact Mass279.11
IUPAC Nameazane;9,9,9-trifluorononane-1-sulfonic acid
SMILESN.O=S(=O)(O)CCCCCCCCC(F)(F)F
InChIInChI=1S/C9H17F3O3S.H3N/c10-9(11,12)7-5-3-1-2-4-6-8-16(13,14)15;/h1-8H2,(H,13,14,15);1H3
InChIKeyUEJFVLKBWMUODK-UHFFFAOYSA-N
XLogP3.33
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;9,9,9-trifluorononane-1-sulfonic acid?
The IUPAC name of azane;9,9,9-trifluorononane-1-sulfonic acid (CID 171929032) is azane;9,9,9-trifluorononane-1-sulfonic acid.
What is the SMILES notation for azane;9,9,9-trifluorononane-1-sulfonic acid?
The canonical SMILES for azane;9,9,9-trifluorononane-1-sulfonic acid is N.O=S(=O)(O)CCCCCCCCC(F)(F)F.
What is the InChIKey of azane;9,9,9-trifluorononane-1-sulfonic acid?
The InChIKey is UEJFVLKBWMUODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O3S.H3N/c10-9(11,12)7-5-3-1-2-4-6-8-16(13,14)15;/h1-8H2,(H,13,14,15);1H3.
What are the key properties of azane;9,9,9-trifluorononane-1-sulfonic acid?
azane;9,9,9-trifluorononane-1-sulfonic acid has a molecular weight of 279.32 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;9,9,9-trifluorononane-1-sulfonic acid is sourced from PubChem (CID 171929032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).