3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid

C8H15F2NO4S — CID 65266264

IUPAC3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NS(=O)(=O)C(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H15F2NO4S/c1-7(2,5(12)13)8(3,4)11-16(14,15)6(9)10/h6,11H,1-4H3,(H,12,13)
InChIKeyOVLJIMYEFFDIGD-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.02
Rot. Bonds5

About 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid

3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65266264) has the molecular formula C8H15F2NO4S and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65266264
Molecular FormulaC8H15F2NO4S
Molecular Weight259.27 g/mol
Exact Mass259.07
IUPAC Name3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NS(=O)(=O)C(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H15F2NO4S/c1-7(2,5(12)13)8(3,4)11-16(14,15)6(9)10/h6,11H,1-4H3,(H,12,13)
InChIKeyOVLJIMYEFFDIGD-UHFFFAOYSA-N
XLogP1.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-3-(trifluoromethylsulfonylamino)butanoic acid
CID 18630336
3-(Difluoromethylsulfonylamino)-3-methylbutanoic acid
CID 64671383
2,2,3-Trimethyl-3-(trifluoromethylsulfonylamino)butanoic acid
CID 65266598
2-(Difluoromethylsulfonylamino)-2-methylbutanoic acid
CID 79792378
2,2,3-Trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067732
3-Methyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83068256
2,2,3-Trimethyl-3-[(2-methylpropane-2-sulfonyl)amino]butanoic acid
CID 65266453
3-(2,2-Dimethylpropylsulfonylamino)-2,2,3-trimethylbutanoic acid
CID 65266067
3-(Ethylsulfonylamino)-2,2,3-trimethylbutanoic acid
CID 65266114
2,2,3-Trimethyl-3-(propylsulfonylamino)butanoic acid
CID 65266216
2,2,3-Trimethyl-3-(propan-2-ylsulfonylamino)butanoic acid
CID 65266352
3-(Methanesulfonamido)-2,2,3-trimethylbutanoic acid
CID 65266501

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid (CID 65266264) is 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid is CC(C)(NS(=O)(=O)C(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is OVLJIMYEFFDIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO4S/c1-7(2,5(12)13)8(3,4)11-16(14,15)6(9)10/h6,11H,1-4H3,(H,12,13).
What are the key properties of 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid?
3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 259.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).