quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide

C13H8F8N2O3S — CID 177442586

IUPACquinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide
SMILESO=S(=O)([N-][n+]1cccc2ccccc21)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C13H8F8N2O3S/c14-10(15)11(16,17)26-12(18,19)13(20,21)27(24,25)22-23-7-3-5-8-4-1-2-6-9(8)23/h1-7,10H
InChIKeyYORWACCYDWCYQP-UHFFFAOYSA-N
MW424.27 g/mol
LogP3.65
Rot. Bonds7

About quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide

quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide (PubChem CID 177442586) has the molecular formula C13H8F8N2O3S and a molecular weight of 424.27 g/mol. Its IUPAC name is quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide.

Molecular Properties

Compound Namequinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide
PubChem CID177442586
Molecular FormulaC13H8F8N2O3S
Molecular Weight424.27 g/mol
Exact Mass424.01
IUPAC Namequinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide
SMILESO=S(=O)([N-][n+]1cccc2ccccc21)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C13H8F8N2O3S/c14-10(15)11(16,17)26-12(18,19)13(20,21)27(24,25)22-23-7-3-5-8-4-1-2-6-9(8)23/h1-7,10H
InChIKeyYORWACCYDWCYQP-UHFFFAOYSA-N
XLogP3.65
TPSA61.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-Quinolinesulfonamide
CID 94464
2-[(5-fluoroquinolin-8-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 138046678
Quinoline, 4-(heptafluoropropyl)-
CID 10913502
3-Quinolinesulfonamide
CID 18680384
Quinoline-5-sulfonamide
CID 21876443
N,N-diethylquinoline-8-sulfonamide
CID 706496
N-butyl-N-ethylquinoline-8-sulfonamide
CID 5309504
1,5-Dimethylquinolin-1-ium;trifluoromethanesulfonate
CID 137637203
1,3-Dimethylquinolin-1-ium;trifluoromethanesulfonate
CID 137661286
1,2-dimethylquinolinium Triflate
CID 86588553
Quinoline, 4-(2,2,2-trifluoroethyl)-
CID 13699181
3-(Difluoromethyl)quinoline
CID 45790517

Frequently Asked Questions

What is the IUPAC name of quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide?
The IUPAC name of quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide (CID 177442586) is quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide.
What is the SMILES notation for quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide?
The canonical SMILES for quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide is O=S(=O)([N-][n+]1cccc2ccccc21)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide?
The InChIKey is YORWACCYDWCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F8N2O3S/c14-10(15)11(16,17)26-12(18,19)13(20,21)27(24,25)22-23-7-3-5-8-4-1-2-6-9(8)23/h1-7,10H.
What are the key properties of quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide?
quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide has a molecular weight of 424.27 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-1-ium-1-yl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide is sourced from PubChem (CID 177442586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).