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

C8H11F8NO4S — CID 3022848

IUPAC1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(N(CCO)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H11F8NO4S/c9-5(10)6(11,12)7(13,14)8(15,16)22(20,21)17(1-3-18)2-4-19/h5,18-19H,1-4H2
InChIKeyQUQDQNCPLSSGOU-UHFFFAOYSA-N
MW369.23 g/mol
LogP0.73
Rot. Bonds9

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

1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 3022848) has the molecular formula C8H11F8NO4S and a molecular weight of 369.23 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID3022848
Molecular FormulaC8H11F8NO4S
Molecular Weight369.23 g/mol
Exact Mass369.03
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(N(CCO)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H11F8NO4S/c9-5(10)6(11,12)7(13,14)8(15,16)22(20,21)17(1-3-18)2-4-19/h5,18-19H,1-4H2
InChIKeyQUQDQNCPLSSGOU-UHFFFAOYSA-N
XLogP0.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide (CID 3022848) is 1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide is O=S(=O)(N(CCO)CCO)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,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is QUQDQNCPLSSGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F8NO4S/c9-5(10)6(11,12)7(13,14)8(15,16)22(20,21)17(1-3-18)2-4-19/h5,18-19H,1-4H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 369.23 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 3022848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).