12-fluorododecane-1-sulfonic acid

C12H25FO3S — CID 122480998

IUPAC12-fluorododecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCF
InChIInChI=1S/C12H25FO3S/c13-11-9-7-5-3-1-2-4-6-8-10-12-17(14,15)16/h1-12H2,(H,14,15,16)
InChIKeyMJPMIHYPXLNEAX-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.74
Rot. Bonds12

About 12-fluorododecane-1-sulfonic acid

12-fluorododecane-1-sulfonic acid (PubChem CID 122480998) has the molecular formula C12H25FO3S and a molecular weight of 268.39 g/mol. Its IUPAC name is 12-fluorododecane-1-sulfonic acid.

Molecular Properties

Compound Name12-fluorododecane-1-sulfonic acid
PubChem CID122480998
Molecular FormulaC12H25FO3S
Molecular Weight268.39 g/mol
Exact Mass268.15
IUPAC Name12-fluorododecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCF
InChIInChI=1S/C12H25FO3S/c13-11-9-7-5-3-1-2-4-6-8-10-12-17(14,15)16/h1-12H2,(H,14,15,16)
InChIKeyMJPMIHYPXLNEAX-UHFFFAOYSA-N
XLogP3.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12-fluorododecane-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

sodium;4-fluorobutane-1-sulfonic acid;hydride
CID 173211362
octane-1,8-disulfonic acid
CID 18172926
pentane-1,5-disulfonic acid;hydrate
CID 133062445
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
butane-1,4-disulfonic acid;ethene
CID 173210763
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
decane-1-sulfonic acid
CID 157391186
14-bromotetradecane-1-sulfonic acid
CID 176903761
5-fluoropentane-1-sulfonate
CID 20976710

Frequently Asked Questions

What is the IUPAC name of 12-fluorododecane-1-sulfonic acid?
The IUPAC name of 12-fluorododecane-1-sulfonic acid (CID 122480998) is 12-fluorododecane-1-sulfonic acid.
What is the SMILES notation for 12-fluorododecane-1-sulfonic acid?
The canonical SMILES for 12-fluorododecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCCCF.
What is the InChIKey of 12-fluorododecane-1-sulfonic acid?
The InChIKey is MJPMIHYPXLNEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO3S/c13-11-9-7-5-3-1-2-4-6-8-10-12-17(14,15)16/h1-12H2,(H,14,15,16).
What are the key properties of 12-fluorododecane-1-sulfonic acid?
12-fluorododecane-1-sulfonic acid has a molecular weight of 268.39 g/mol, XLogP of 3.74, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-fluorododecane-1-sulfonic acid is sourced from PubChem (CID 122480998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).