azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid

C6H6F11NO3S — CID 175529601

IUPACazane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
SMILESN.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H3F11O3S.H3N/c7-2(8,1-3(9,10)11)4(12,13)5(14,15)6(16,17)21(18,19)20;/h1H2,(H,18,19,20);1H3
InChIKeyGJCQTNRHXNXJKP-UHFFFAOYSA-N
MW381.16 g/mol
LogP3.49
Rot. Bonds5

About azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid

azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid (PubChem CID 175529601) has the molecular formula C6H6F11NO3S and a molecular weight of 381.16 g/mol. Its IUPAC name is azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid.

Molecular Properties

Compound Nameazane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
PubChem CID175529601
Molecular FormulaC6H6F11NO3S
Molecular Weight381.16 g/mol
Exact Mass380.99
IUPAC Nameazane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
SMILESN.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H3F11O3S.H3N/c7-2(8,1-3(9,10)11)4(12,13)5(14,15)6(16,17)21(18,19)20;/h1H2,(H,18,19,20);1H3
InChIKeyGJCQTNRHXNXJKP-UHFFFAOYSA-N
XLogP3.49
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.16
LogP ≤ 53.49
H-Bond Donors ≤ 52
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 azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid 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

tetraethylazanium;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid
CID 175158565
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,12,12,12-heptadecafluorododecane-1-sulfonic acid
CID 175161760
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,12,12,12-tricosafluorododecane-1-sulfonyl fluoride
CID 89466590
1,1,2,2,4,4,4-heptafluorobutane-1-sulfonic acid;N-methylmethanamine
CID 175157246
azane;1,1,2,2,3,3,4,4,5,5,6,6,12,12,12-pentadecafluorododecane-1-sulfonic acid
CID 175159561
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,10-nonadecafluorodecane-1-sulfonate
CID 175160408
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,6,11,11,11-pentadecafluoroundecane-1-sulfonic acid
CID 171927807
2,2,3,3,4,4-hexafluorobutane-1,1,1,4-tetrasulfonic acid
CID 87431727
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
CID 173109555
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid;zirconium
CID 174978551
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171

Frequently Asked Questions

What is the IUPAC name of azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
The IUPAC name of azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid (CID 175529601) is azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid.
What is the SMILES notation for azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
The canonical SMILES for azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid is N.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
The InChIKey is GJCQTNRHXNXJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O3S.H3N/c7-2(8,1-3(9,10)11)4(12,13)5(14,15)6(16,17)21(18,19)20;/h1H2,(H,18,19,20);1H3.
What are the key properties of azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid?
azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid has a molecular weight of 381.16 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1,2,2,3,3,4,4,6,6,6-undecafluorohexane-1-sulfonic acid is sourced from PubChem (CID 175529601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).