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

C7H11F4NO3S — CID 103733503

IUPAC2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO3S/c1-12(3-4-16(2,14)15)6(13)7(10,11)5(8)9/h5H,3-4H2,1-2H3
InChIKeyRLKXGEUXAJHWGY-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.39
Rot. Bonds5

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

2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide (PubChem CID 103733503) has the molecular formula C7H11F4NO3S and a molecular weight of 265.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide
PubChem CID103733503
Molecular FormulaC7H11F4NO3S
Molecular Weight265.23 g/mol
Exact Mass265.04
IUPAC Name2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO3S/c1-12(3-4-16(2,14)15)6(13)7(10,11)5(8)9/h5H,3-4H2,1-2H3
InChIKeyRLKXGEUXAJHWGY-UHFFFAOYSA-N
XLogP0.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.39
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-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide (CID 103733503) is 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide is CN(CCS(C)(=O)=O)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is RLKXGEUXAJHWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO3S/c1-12(3-4-16(2,14)15)6(13)7(10,11)5(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide?
2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 265.23 g/mol, XLogP of 0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-methyl-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 103733503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).