dimethylazanium;10,10,10-trifluorodecane-1-sulfonate

C12H26F3NO3S — CID 134206587

IUPACdimethylazanium;10,10,10-trifluorodecane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CCCCCCCCCC(F)(F)F
InChIInChI=1S/C10H19F3O3S.C2H7N/c11-10(12,13)8-6-4-2-1-3-5-7-9-17(14,15)16;1-3-2/h1-9H2,(H,14,15,16);3H,1-2H3
InChIKeyRGMKKRNKBQFEGH-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.02
Rot. Bonds9

About dimethylazanium;10,10,10-trifluorodecane-1-sulfonate

dimethylazanium;10,10,10-trifluorodecane-1-sulfonate (PubChem CID 134206587) has the molecular formula C12H26F3NO3S and a molecular weight of 321.41 g/mol. Its IUPAC name is dimethylazanium;10,10,10-trifluorodecane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;10,10,10-trifluorodecane-1-sulfonate
PubChem CID134206587
Molecular FormulaC12H26F3NO3S
Molecular Weight321.41 g/mol
Exact Mass321.16
IUPAC Namedimethylazanium;10,10,10-trifluorodecane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CCCCCCCCCC(F)(F)F
InChIInChI=1S/C10H19F3O3S.C2H7N/c11-10(12,13)8-6-4-2-1-3-5-7-9-17(14,15)16;1-3-2/h1-9H2,(H,14,15,16);3H,1-2H3
InChIKeyRGMKKRNKBQFEGH-UHFFFAOYSA-N
XLogP2.02
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.02
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

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CID 91331565
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Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonate
CID 122480804
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonate
CID 122480950
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate
CID 122481235
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonate
CID 122481283
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane-1-sulfonate
CID 122481752
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 122481790
Dimethylazanium;8,8,8-trifluorooctane-1-sulfonate
CID 134206296
5,5-Difluoropentane-1-sulfonate;dimethylazanium
CID 134206531
Dimethylazanium;7,7,7-trifluoroheptane-1-sulfonate
CID 134206582

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;10,10,10-trifluorodecane-1-sulfonate?
The IUPAC name of dimethylazanium;10,10,10-trifluorodecane-1-sulfonate (CID 134206587) is dimethylazanium;10,10,10-trifluorodecane-1-sulfonate.
What is the SMILES notation for dimethylazanium;10,10,10-trifluorodecane-1-sulfonate?
The canonical SMILES for dimethylazanium;10,10,10-trifluorodecane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])CCCCCCCCCC(F)(F)F.
What is the InChIKey of dimethylazanium;10,10,10-trifluorodecane-1-sulfonate?
The InChIKey is RGMKKRNKBQFEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O3S.C2H7N/c11-10(12,13)8-6-4-2-1-3-5-7-9-17(14,15)16;1-3-2/h1-9H2,(H,14,15,16);3H,1-2H3.
What are the key properties of dimethylazanium;10,10,10-trifluorodecane-1-sulfonate?
dimethylazanium;10,10,10-trifluorodecane-1-sulfonate has a molecular weight of 321.41 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;10,10,10-trifluorodecane-1-sulfonate is sourced from PubChem (CID 134206587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).