1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

C12H9F8NO4S — CID 15893301

IUPAC1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESO=C(CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H9F8NO4S/c13-9(14)10(15,16)25-11(17,18)12(19,20)26(23,24)21-6-8(22)7-4-2-1-3-5-7/h1-5,9,21H,6H2
InChIKeyISKUFNJSAAMBIY-UHFFFAOYSA-N
MW415.26 g/mol
LogP2.85
Rot. Bonds9

About 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (PubChem CID 15893301) has the molecular formula C12H9F8NO4S and a molecular weight of 415.26 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
PubChem CID15893301
Molecular FormulaC12H9F8NO4S
Molecular Weight415.26 g/mol
Exact Mass415.01
IUPAC Name1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESO=C(CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H9F8NO4S/c13-9(14)10(15,16)25-11(17,18)12(19,20)26(23,24)21-6-8(22)7-4-2-1-3-5-7/h1-5,9,21H,6H2
InChIKeyISKUFNJSAAMBIY-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (CID 15893301) is 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is O=C(CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The InChIKey is ISKUFNJSAAMBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F8NO4S/c13-9(14)10(15,16)25-11(17,18)12(19,20)26(23,24)21-6-8(22)7-4-2-1-3-5-7/h1-5,9,21H,6H2.
What are the key properties of 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide has a molecular weight of 415.26 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N-phenacyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 15893301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).