N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide

C5H8F5NO2S — CID 102441606

IUPACN-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide
SMILESCCN(C)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-3-11(2)14(12,13)5(9,10)4(6,7)8/h3H2,1-2H3
InChIKeyXZPSPGRKCGJACB-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.42
Rot. Bonds3

About N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide

N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide (PubChem CID 102441606) has the molecular formula C5H8F5NO2S and a molecular weight of 241.18 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide
PubChem CID102441606
Molecular FormulaC5H8F5NO2S
Molecular Weight241.18 g/mol
Exact Mass241.02
IUPAC NameN-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide
SMILESCCN(C)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-3-11(2)14(12,13)5(9,10)4(6,7)8/h3H2,1-2H3
InChIKeyXZPSPGRKCGJACB-UHFFFAOYSA-N
XLogP1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide (CID 102441606) is N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide is CCN(C)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
The InChIKey is XZPSPGRKCGJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO2S/c1-3-11(2)14(12,13)5(9,10)4(6,7)8/h3H2,1-2H3.
What are the key properties of N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide?
N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide has a molecular weight of 241.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,2-pentafluoro-N-methylethanesulfonamide is sourced from PubChem (CID 102441606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).