4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide

C8H16F3NO4S — CID 83060126

IUPAC4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCOCCO
InChIInChI=1S/C8H16F3NO4S/c9-8(10,11)2-1-7-17(14,15)12-3-5-16-6-4-13/h12-13H,1-7H2
InChIKeyBXDYXRBJDKMUSP-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.26
Rot. Bonds9

About 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide (PubChem CID 83060126) has the molecular formula C8H16F3NO4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide
PubChem CID83060126
Molecular FormulaC8H16F3NO4S
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC Name4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCOCCO
InChIInChI=1S/C8H16F3NO4S/c9-8(10,11)2-1-7-17(14,15)12-3-5-16-6-4-13/h12-13H,1-7H2
InChIKeyBXDYXRBJDKMUSP-UHFFFAOYSA-N
XLogP0.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide (CID 83060126) is 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCCOCCO.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide?
The InChIKey is BXDYXRBJDKMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO4S/c9-8(10,11)2-1-7-17(14,15)12-3-5-16-6-4-13/h12-13H,1-7H2.
What are the key properties of 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide has a molecular weight of 279.28 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 83060126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).