dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate

C12H20F9NO3S — CID 141492551

IUPACdimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CCCCCCC(F)(F)F
InChIInChI=1S/C10H13F9O3S.C2H7N/c11-7(12,5-3-1-2-4-6-8(13,14)15)9(16,17)10(18,19)23(20,21)22;1-3-2/h1-6H2,(H,20,21,22);3H,1-2H3
InChIKeyJZOZSBIAOCUIRA-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.11
Rot. Bonds9

About dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate

dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate (PubChem CID 141492551) has the molecular formula C12H20F9NO3S and a molecular weight of 429.35 g/mol. Its IUPAC name is dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate
PubChem CID141492551
Molecular FormulaC12H20F9NO3S
Molecular Weight429.35 g/mol
Exact Mass429.10
IUPAC Namedimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CCCCCCC(F)(F)F
InChIInChI=1S/C10H13F9O3S.C2H7N/c11-7(12,5-3-1-2-4-6-8(13,14)15)9(16,17)10(18,19)23(20,21)22;1-3-2/h1-6H2,(H,20,21,22);3H,1-2H3
InChIKeyJZOZSBIAOCUIRA-UHFFFAOYSA-N
XLogP3.11
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethylazanium;1,1,2,2,3,3,4,4,5,5,10,10,10-tridecafluorodecane-1-sulfonate
CID 141491998
azanium 1,1,2,2,3,3,11,11,11-nonafluoroundecane-1-sulfonate
CID 141491973
azanium 1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonate
CID 141492323
sodium 1,1,2,2,3,3,4,4,5,5,11,11,11-tridecafluoroundecane-1-sulfonate
CID 141492470
1,1,2,2,11,11,11-heptafluoroundecane-1-sulfonate
CID 154492518
lithium 1,1,2,2,9,9,9-heptafluorononane-1-sulfonate
CID 141492633
1,1,2,2,3,3,9,9,9-nonafluorononane-1-sulfonate;pyridin-1-ium
CID 141492302
azanium 1,1,2,2,7,7,7-heptafluoroheptane-1-sulfonate
CID 141492423
potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
CID 122481336
1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481434
1,1,2,2,8,8,8-heptafluorooctane-1-sulfonate;tetraethylazanium
CID 141492168
pyridin-1-ium;1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane-1-sulfonate
CID 141492585

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate?
The IUPAC name of dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate (CID 141492551) is dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate.
What is the SMILES notation for dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate?
The canonical SMILES for dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)CCCCCCC(F)(F)F.
What is the InChIKey of dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate?
The InChIKey is JZOZSBIAOCUIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O3S.C2H7N/c11-7(12,5-3-1-2-4-6-8(13,14)15)9(16,17)10(18,19)23(20,21)22;1-3-2/h1-6H2,(H,20,21,22);3H,1-2H3.
What are the key properties of dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate?
dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate has a molecular weight of 429.35 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate is sourced from PubChem (CID 141492551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).