3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide

C9H18F3NO3S — CID 65015670

IUPAC3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
SMILESCC(C)(C)C(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C9H18F3NO3S/c1-8(2,3)7(5-17(13,14)15)4-16-6-9(10,11)12/h7H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyXTGHVLHRNAHYPE-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.52
Rot. Bonds5

About 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide

3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide (PubChem CID 65015670) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
PubChem CID65015670
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide
SMILESCC(C)(C)C(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C9H18F3NO3S/c1-8(2,3)7(5-17(13,14)15)4-16-6-9(10,11)12/h7H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyXTGHVLHRNAHYPE-UHFFFAOYSA-N
XLogP1.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide (CID 65015670) is 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide is CC(C)(C)C(COCC(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
The InChIKey is XTGHVLHRNAHYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-8(2,3)7(5-17(13,14)15)4-16-6-9(10,11)12/h7H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide?
3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 65015670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).