dimethylazanium;6,6,6-trifluorohexane-1-sulfonate

C8H18F3NO3S — CID 134206981

IUPACdimethylazanium;6,6,6-trifluorohexane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CCCCCC(F)(F)F
InChIInChI=1S/C6H11F3O3S.C2H7N/c7-6(8,9)4-2-1-3-5-13(10,11)12;1-3-2/h1-5H2,(H,10,11,12);3H,1-2H3
InChIKeyAXHHAUXBZBVSTH-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.46
Rot. Bonds5

About dimethylazanium;6,6,6-trifluorohexane-1-sulfonate

dimethylazanium;6,6,6-trifluorohexane-1-sulfonate (PubChem CID 134206981) has the molecular formula C8H18F3NO3S and a molecular weight of 265.30 g/mol. Its IUPAC name is dimethylazanium;6,6,6-trifluorohexane-1-sulfonate.

Molecular Properties

Compound Namedimethylazanium;6,6,6-trifluorohexane-1-sulfonate
PubChem CID134206981
Molecular FormulaC8H18F3NO3S
Molecular Weight265.30 g/mol
Exact Mass265.10
IUPAC Namedimethylazanium;6,6,6-trifluorohexane-1-sulfonate
SMILESC[NH2+]C.O=S(=O)([O-])CCCCCC(F)(F)F
InChIInChI=1S/C6H11F3O3S.C2H7N/c7-6(8,9)4-2-1-3-5-13(10,11)12;1-3-2/h1-5H2,(H,10,11,12);3H,1-2H3
InChIKeyAXHHAUXBZBVSTH-UHFFFAOYSA-N
XLogP0.46
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.46
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

Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate
CID 122481235
Dimethylazanium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 122481286
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
Dimethylazanium;10,10,10-trifluorodecane-1-sulfonate
CID 134206587
4,4-Difluorobutane-1-sulfonate;dimethylazanium
CID 134206809
Dimethylazanium;11,11,11-trifluoroundecane-1-sulfonate
CID 134206880
Dimethylazanium;5,5,5-trifluoropentane-1-sulfonate
CID 134206896
9,9-Difluorononane-1-sulfonate;dimethylazanium
CID 134206928
8,8-Difluorooctane-1-sulfonate;dimethylazanium
CID 134207248
Dimethylazanium;4,4,4-trifluorobutane-1-sulfonate
CID 134207328

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;6,6,6-trifluorohexane-1-sulfonate?
The IUPAC name of dimethylazanium;6,6,6-trifluorohexane-1-sulfonate (CID 134206981) is dimethylazanium;6,6,6-trifluorohexane-1-sulfonate.
What is the SMILES notation for dimethylazanium;6,6,6-trifluorohexane-1-sulfonate?
The canonical SMILES for dimethylazanium;6,6,6-trifluorohexane-1-sulfonate is C[NH2+]C.O=S(=O)([O-])CCCCCC(F)(F)F.
What is the InChIKey of dimethylazanium;6,6,6-trifluorohexane-1-sulfonate?
The InChIKey is AXHHAUXBZBVSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O3S.C2H7N/c7-6(8,9)4-2-1-3-5-13(10,11)12;1-3-2/h1-5H2,(H,10,11,12);3H,1-2H3.
What are the key properties of dimethylazanium;6,6,6-trifluorohexane-1-sulfonate?
dimethylazanium;6,6,6-trifluorohexane-1-sulfonate has a molecular weight of 265.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;6,6,6-trifluorohexane-1-sulfonate is sourced from PubChem (CID 134206981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).