N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide

C4F7N3O3S — CID 18471548

IUPACN-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4F7N3O3S/c5-1(6)2(7)17-3(8,9)4(10,11)18(15,16)14-13-12
InChIKeyQWZIWCIAQAGHOI-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.86
Rot. Bonds5

About N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide

N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide (PubChem CID 18471548) has the molecular formula C4F7N3O3S and a molecular weight of 303.12 g/mol. Its IUPAC name is N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide
PubChem CID18471548
Molecular FormulaC4F7N3O3S
Molecular Weight303.12 g/mol
Exact Mass302.95
IUPAC NameN-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4F7N3O3S/c5-1(6)2(7)17-3(8,9)4(10,11)18(15,16)14-13-12
InChIKeyQWZIWCIAQAGHOI-UHFFFAOYSA-N
XLogP2.86
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide?
The IUPAC name of N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide (CID 18471548) is N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide.
What is the SMILES notation for N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide?
The canonical SMILES for N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide is [N-]=[N+]=NS(=O)(=O)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide?
The InChIKey is QWZIWCIAQAGHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F7N3O3S/c5-1(6)2(7)17-3(8,9)4(10,11)18(15,16)14-13-12.
What are the key properties of N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide?
N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide has a molecular weight of 303.12 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide is sourced from PubChem (CID 18471548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).