1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium

C7H10F9NO3S — CID 135351771

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium
SMILESC[NH+](C)C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S.C3H9N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-4(2)3/h(H,14,15,16);1-3H3
InChIKeyIYWOUSAHIBBZAJ-UHFFFAOYSA-N
MW359.21 g/mol
LogP0.72
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium (PubChem CID 135351771) has the molecular formula C7H10F9NO3S and a molecular weight of 359.21 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium
PubChem CID135351771
Molecular FormulaC7H10F9NO3S
Molecular Weight359.21 g/mol
Exact Mass359.02
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium
SMILESC[NH+](C)C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S.C3H9N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-4(2)3/h(H,14,15,16);1-3H3
InChIKeyIYWOUSAHIBBZAJ-UHFFFAOYSA-N
XLogP0.72
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium 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

Perfluorobutanesulfonic acid tetramethylammonium salt
CID 22620600
1,1,2,2,3,3,3-Heptafluoropropane-1-sulfonate;tetramethylazanium
CID 23287339
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;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
CID 122481407
Dimethylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 122481999
4,4-Difluorobutane-1-sulfonate;dimethylazanium
CID 134206809
Dimethylazanium;4,4,4-trifluorobutane-1-sulfonate
CID 134207328
Bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium
CID 141425026
Dimethylazanium;1,1,2,4,4,4-hexafluorobutane-1-sulfonate
CID 141491827
Dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492076
Dimethylazanium;1,4,4,4-tetrafluorobutane-1-sulfonate
CID 141492103

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium (CID 135351771) is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium is C[NH+](C)C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium?
The InChIKey is IYWOUSAHIBBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O3S.C3H9N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-4(2)3/h(H,14,15,16);1-3H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium?
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium has a molecular weight of 359.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trimethylazanium is sourced from PubChem (CID 135351771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).