2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide

C7H10F5NO3S — CID 114038225

IUPAC2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO3S/c1-13(3-4-17(2,15)16)5(14)6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeyYBGUGMAIVOZHLN-UHFFFAOYSA-N
MW283.22 g/mol
LogP0.69
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide

2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide (PubChem CID 114038225) has the molecular formula C7H10F5NO3S and a molecular weight of 283.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide
PubChem CID114038225
Molecular FormulaC7H10F5NO3S
Molecular Weight283.22 g/mol
Exact Mass283.03
IUPAC Name2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO3S/c1-13(3-4-17(2,15)16)5(14)6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeyYBGUGMAIVOZHLN-UHFFFAOYSA-N
XLogP0.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
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 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide (CID 114038225) is 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide is CN(CCS(C)(=O)=O)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is YBGUGMAIVOZHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO3S/c1-13(3-4-17(2,15)16)5(14)6(8,9)7(10,11)12/h3-4H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 283.22 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 114038225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).