4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid

C9H16F3NO4S — CID 65285166

IUPAC4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid
SMILESCC(C)(CCNS(=O)(=O)C(F)(F)F)CCC(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-8(2,4-3-7(14)15)5-6-13-18(16,17)9(10,11)12/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFPLOLHZMUZEBAF-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.71
Rot. Bonds7

About 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid

4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid (PubChem CID 65285166) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid
PubChem CID65285166
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid
SMILESCC(C)(CCNS(=O)(=O)C(F)(F)F)CCC(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-8(2,4-3-7(14)15)5-6-13-18(16,17)9(10,11)12/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFPLOLHZMUZEBAF-UHFFFAOYSA-N
XLogP1.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid (CID 65285166) is 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid is CC(C)(CCNS(=O)(=O)C(F)(F)F)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid?
The InChIKey is FPLOLHZMUZEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c1-8(2,4-3-7(14)15)5-6-13-18(16,17)9(10,11)12/h13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid?
4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid has a molecular weight of 291.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(trifluoromethylsulfonylamino)hexanoic acid is sourced from PubChem (CID 65285166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).