1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide

C7H9F8NO3S — CID 3022847

IUPAC1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H9F8NO3S/c1-16(2-3-17)20(18,19)7(14,15)6(12,13)5(10,11)4(8)9/h4,17H,2-3H2,1H3
InChIKeyHVRZEMISTDPHLI-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.37
Rot. Bonds7

About 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide

1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide (PubChem CID 3022847) has the molecular formula C7H9F8NO3S and a molecular weight of 339.20 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
PubChem CID3022847
Molecular FormulaC7H9F8NO3S
Molecular Weight339.20 g/mol
Exact Mass339.02
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H9F8NO3S/c1-16(2-3-17)20(18,19)7(14,15)6(12,13)5(10,11)4(8)9/h4,17H,2-3H2,1H3
InChIKeyHVRZEMISTDPHLI-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.37
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 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide (CID 3022847) is 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide is CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
The InChIKey is HVRZEMISTDPHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F8NO3S/c1-16(2-3-17)20(18,19)7(14,15)6(12,13)5(10,11)4(8)9/h4,17H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide?
1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide has a molecular weight of 339.20 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 3022847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).