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

C4HF8NO3S — CID 87267309

IUPAC2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
SMILESO=C(NS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF8NO3S/c5-2(6,7)1(14)13-17(15,16)4(11,12)3(8,9)10/h(H,13,14)
InChIKeyWSZQKXUNOVGBME-UHFFFAOYSA-N
MW295.11 g/mol
LogP1.15
Rot. Bonds2

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

2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide (PubChem CID 87267309) has the molecular formula C4HF8NO3S and a molecular weight of 295.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
PubChem CID87267309
Molecular FormulaC4HF8NO3S
Molecular Weight295.11 g/mol
Exact Mass294.95
IUPAC Name2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
SMILESO=C(NS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF8NO3S/c5-2(6,7)1(14)13-17(15,16)4(11,12)3(8,9)10/h(H,13,14)
InChIKeyWSZQKXUNOVGBME-UHFFFAOYSA-N
XLogP1.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 87267100
CID 87267100
sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid
CID 173392621
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide
CID 88855230
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
1-carbamoyl-3-(1,1,2,2,2-pentafluoroethylsulfonyl)urea
CID 174550629
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide
CID 171725734
2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide
CID 89050003
N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide
CID 90380771
N-(3,4-dihydroxyphenyl)sulfonyl-2,2,2-trifluoroacetamide
CID 170128442
4,4,5,5,5-pentafluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)-2-(1,1,2,2,2-pentafluoroethyl)pent-2-enoic acid
CID 173204832
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide (CID 87267309) is 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide is O=C(NS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
The InChIKey is WSZQKXUNOVGBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF8NO3S/c5-2(6,7)1(14)13-17(15,16)4(11,12)3(8,9)10/h(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide?
2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide has a molecular weight of 295.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide is sourced from PubChem (CID 87267309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).