N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide

C4H4F5NO3S — CID 20807111

IUPACN-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NO3S/c1-2(11)10-14(12,13)4(8,9)3(5,6)7/h1H3,(H,10,11)
InChIKeyOXGDDDNZWNHMBS-UHFFFAOYSA-N
MW241.14 g/mol
LogP0.61
Rot. Bonds2

About N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide

N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide (PubChem CID 20807111) has the molecular formula C4H4F5NO3S and a molecular weight of 241.14 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
PubChem CID20807111
Molecular FormulaC4H4F5NO3S
Molecular Weight241.14 g/mol
Exact Mass240.98
IUPAC NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NO3S/c1-2(11)10-14(12,13)4(8,9)3(5,6)7/h1H3,(H,10,11)
InChIKeyOXGDDDNZWNHMBS-UHFFFAOYSA-N
XLogP0.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide (CID 20807111) is N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide is CC(=O)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
The InChIKey is OXGDDDNZWNHMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5NO3S/c1-2(11)10-14(12,13)4(8,9)3(5,6)7/h1H3,(H,10,11).
What are the key properties of N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide has a molecular weight of 241.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide is sourced from PubChem (CID 20807111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).