3-(10-fluorodecoxy)propane-1-sulfonic acid

C13H27FO4S — CID 101285302

IUPAC3-(10-fluorodecoxy)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCCCCCCCCCF
InChIInChI=1S/C13H27FO4S/c14-10-7-5-3-1-2-4-6-8-11-18-12-9-13-19(15,16)17/h1-13H2,(H,15,16,17)
InChIKeyIPXLYVHTKLDSCK-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.37
Rot. Bonds14

About 3-(10-fluorodecoxy)propane-1-sulfonic acid

3-(10-fluorodecoxy)propane-1-sulfonic acid (PubChem CID 101285302) has the molecular formula C13H27FO4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 3-(10-fluorodecoxy)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(10-fluorodecoxy)propane-1-sulfonic acid
PubChem CID101285302
Molecular FormulaC13H27FO4S
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Name3-(10-fluorodecoxy)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCCCCCCCCCF
InChIInChI=1S/C13H27FO4S/c14-10-7-5-3-1-2-4-6-8-11-18-12-9-13-19(15,16)17/h1-13H2,(H,15,16,17)
InChIKeyIPXLYVHTKLDSCK-UHFFFAOYSA-N
XLogP3.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.37
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'}

Analyze 3-(10-fluorodecoxy)propane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(10-fluorodecoxy)propane-1-sulfonic acid?
The IUPAC name of 3-(10-fluorodecoxy)propane-1-sulfonic acid (CID 101285302) is 3-(10-fluorodecoxy)propane-1-sulfonic acid.
What is the SMILES notation for 3-(10-fluorodecoxy)propane-1-sulfonic acid?
The canonical SMILES for 3-(10-fluorodecoxy)propane-1-sulfonic acid is O=S(=O)(O)CCCOCCCCCCCCCCF.
What is the InChIKey of 3-(10-fluorodecoxy)propane-1-sulfonic acid?
The InChIKey is IPXLYVHTKLDSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO4S/c14-10-7-5-3-1-2-4-6-8-11-18-12-9-13-19(15,16)17/h1-13H2,(H,15,16,17).
What are the key properties of 3-(10-fluorodecoxy)propane-1-sulfonic acid?
3-(10-fluorodecoxy)propane-1-sulfonic acid has a molecular weight of 298.42 g/mol, XLogP of 3.37, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-fluorodecoxy)propane-1-sulfonic acid is sourced from PubChem (CID 101285302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).