1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide

C5H8F5NO3S — CID 86057590

IUPAC1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO3S/c1-11(2-3-12)15(13,14)5(9,10)4(6,7)8/h12H,2-3H2,1H3
InChIKeyQYNCJAUHZYEQKJ-UHFFFAOYSA-N
MW257.18 g/mol
LogP0.40
Rot. Bonds4

About 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide

1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide (PubChem CID 86057590) has the molecular formula C5H8F5NO3S and a molecular weight of 257.18 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide
PubChem CID86057590
Molecular FormulaC5H8F5NO3S
Molecular Weight257.18 g/mol
Exact Mass257.01
IUPAC Name1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO3S/c1-11(2-3-12)15(13,14)5(9,10)4(6,7)8/h12H,2-3H2,1H3
InChIKeyQYNCJAUHZYEQKJ-UHFFFAOYSA-N
XLogP0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 50.40
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 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide (CID 86057590) is 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide is CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide?
The InChIKey is QYNCJAUHZYEQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO3S/c1-11(2-3-12)15(13,14)5(9,10)4(6,7)8/h12H,2-3H2,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide has a molecular weight of 257.18 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)-N-methylethanesulfonamide is sourced from PubChem (CID 86057590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).