12,12-difluorododecane-1-sulfonic acid

C12H24F2O3S — CID 134206753

IUPAC12,12-difluorododecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCC(F)F
InChIInChI=1S/C12H24F2O3S/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-18(15,16)17/h12H,1-11H2,(H,15,16,17)
InChIKeyDXXONDJDEJSWOR-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.04
Rot. Bonds12

About 12,12-difluorododecane-1-sulfonic acid

12,12-difluorododecane-1-sulfonic acid (PubChem CID 134206753) has the molecular formula C12H24F2O3S and a molecular weight of 286.38 g/mol. Its IUPAC name is 12,12-difluorododecane-1-sulfonic acid.

Molecular Properties

Compound Name12,12-difluorododecane-1-sulfonic acid
PubChem CID134206753
Molecular FormulaC12H24F2O3S
Molecular Weight286.38 g/mol
Exact Mass286.14
IUPAC Name12,12-difluorododecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCC(F)F
InChIInChI=1S/C12H24F2O3S/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-18(15,16)17/h12H,1-11H2,(H,15,16,17)
InChIKeyDXXONDJDEJSWOR-UHFFFAOYSA-N
XLogP4.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.04
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'}

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Related Compounds

9,9-difluorononane-1-sulfonic acid;prop-2-en-1-amine
CID 175169891
octane-1,8-disulfonic acid
CID 18172926
16-methylheptadecane-1-sulfonic acid
CID 19380804
pentane-1,5-disulfonic acid;hydrate
CID 133062445
azanium 6,6-difluorohexane-1-sulfonate
CID 134207381
4,4-difluorobutane-1-sulfonic acid;pyridine
CID 171929147
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
9,10-dichlorooctadecane-1-sulfonic acid
CID 20540418
1,1,7,7-tetrafluoroheptane
CID 87478513
12-fluorododecane-1-sulfonic acid
CID 122480998

Frequently Asked Questions

What is the IUPAC name of 12,12-difluorododecane-1-sulfonic acid?
The IUPAC name of 12,12-difluorododecane-1-sulfonic acid (CID 134206753) is 12,12-difluorododecane-1-sulfonic acid.
What is the SMILES notation for 12,12-difluorododecane-1-sulfonic acid?
The canonical SMILES for 12,12-difluorododecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCCC(F)F.
What is the InChIKey of 12,12-difluorododecane-1-sulfonic acid?
The InChIKey is DXXONDJDEJSWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O3S/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-18(15,16)17/h12H,1-11H2,(H,15,16,17).
What are the key properties of 12,12-difluorododecane-1-sulfonic acid?
12,12-difluorododecane-1-sulfonic acid has a molecular weight of 286.38 g/mol, XLogP of 4.04, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-difluorododecane-1-sulfonic acid is sourced from PubChem (CID 134206753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).