3-(9-fluorononoxy)propane-1-sulfonic acid

C12H25FO4S — CID 101285300

IUPAC3-(9-fluorononoxy)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCCCCCCCCF
InChIInChI=1S/C12H25FO4S/c13-9-6-4-2-1-3-5-7-10-17-11-8-12-18(14,15)16/h1-12H2,(H,14,15,16)
InChIKeyPSSSPBWMXKVZRV-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.98
Rot. Bonds13

About 3-(9-fluorononoxy)propane-1-sulfonic acid

3-(9-fluorononoxy)propane-1-sulfonic acid (PubChem CID 101285300) has the molecular formula C12H25FO4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(9-fluorononoxy)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(9-fluorononoxy)propane-1-sulfonic acid
PubChem CID101285300
Molecular FormulaC12H25FO4S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name3-(9-fluorononoxy)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCCCCCCCCF
InChIInChI=1S/C12H25FO4S/c13-9-6-4-2-1-3-5-7-10-17-11-8-12-18(14,15)16/h1-12H2,(H,14,15,16)
InChIKeyPSSSPBWMXKVZRV-UHFFFAOYSA-N
XLogP2.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
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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Related Compounds

Avanel S 150
CID 60108677
10-Trifluoromethoxydecane-1-sulfonic acid
CID 59745701
Sodium 10-trifluoromethoxydecane-1-sulfonate
CID 86621002
3-Sulfopropoxy dodecane
CID 12583040
3-Sulfo-propoxyoctadecane
CID 57669345
8-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-7-fluorooctane-1-sulfonic acid
CID 18359579
2-(Dodecyloxy)ethanesulfonic acid
CID 20165310
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctoxy)propane-1-sulfonic acid
CID 20734541
(7R)-8-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-7-fluorooctane-1-sulfonic acid
CID 21967267
3-Fluoroundecoxymethanesulfonic acid
CID 54466417
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Octadecafluorononoxy)propane-1-sulfonic acid
CID 58734865
10-(Trifluoromethoxy)decane-1-sulfonate
CID 59745700

Frequently Asked Questions

What is the IUPAC name of 3-(9-fluorononoxy)propane-1-sulfonic acid?
The IUPAC name of 3-(9-fluorononoxy)propane-1-sulfonic acid (CID 101285300) is 3-(9-fluorononoxy)propane-1-sulfonic acid.
What is the SMILES notation for 3-(9-fluorononoxy)propane-1-sulfonic acid?
The canonical SMILES for 3-(9-fluorononoxy)propane-1-sulfonic acid is O=S(=O)(O)CCCOCCCCCCCCCF.
What is the InChIKey of 3-(9-fluorononoxy)propane-1-sulfonic acid?
The InChIKey is PSSSPBWMXKVZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO4S/c13-9-6-4-2-1-3-5-7-10-17-11-8-12-18(14,15)16/h1-12H2,(H,14,15,16).
What are the key properties of 3-(9-fluorononoxy)propane-1-sulfonic acid?
3-(9-fluorononoxy)propane-1-sulfonic acid has a molecular weight of 284.39 g/mol, XLogP of 2.98, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-fluorononoxy)propane-1-sulfonic acid is sourced from PubChem (CID 101285300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).