N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

C5H4BrF8NO3S — CID 134928231

IUPACN-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESCN(Br)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C5H4BrF8NO3S/c1-15(6)19(16,17)5(13,14)4(11,12)18-3(9,10)2(7)8/h2H,1H3
InChIKeyAGWAFUJCSGZOSK-UHFFFAOYSA-N
MW390.05 g/mol
LogP2.62
Rot. Bonds6

About N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (PubChem CID 134928231) has the molecular formula C5H4BrF8NO3S and a molecular weight of 390.05 g/mol. Its IUPAC name is N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
PubChem CID134928231
Molecular FormulaC5H4BrF8NO3S
Molecular Weight390.05 g/mol
Exact Mass388.90
IUPAC NameN-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESCN(Br)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C5H4BrF8NO3S/c1-15(6)19(16,17)5(13,14)4(11,12)18-3(9,10)2(7)8/h2H,1H3
InChIKeyAGWAFUJCSGZOSK-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The IUPAC name of N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (CID 134928231) is N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.
What is the SMILES notation for N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The canonical SMILES for N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is CN(Br)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The InChIKey is AGWAFUJCSGZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF8NO3S/c1-15(6)19(16,17)5(13,14)4(11,12)18-3(9,10)2(7)8/h2H,1H3.
What are the key properties of N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide has a molecular weight of 390.05 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-1,1,2,2-tetrafluoro-N-methyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 134928231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).