2-(difluoromethylsulfonylamino)-3-methylbutanoic acid

C6H11F2NO4S — CID 43200283

IUPAC2-(difluoromethylsulfonylamino)-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C6H11F2NO4S/c1-3(2)4(5(10)11)9-14(12,13)6(7)8/h3-4,6,9H,1-2H3,(H,10,11)
InChIKeyNSIQYANRFAMZIA-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.24
Rot. Bonds5

About 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid

2-(difluoromethylsulfonylamino)-3-methylbutanoic acid (PubChem CID 43200283) has the molecular formula C6H11F2NO4S and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-3-methylbutanoic acid
PubChem CID43200283
Molecular FormulaC6H11F2NO4S
Molecular Weight231.22 g/mol
Exact Mass231.04
IUPAC Name2-(difluoromethylsulfonylamino)-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C6H11F2NO4S/c1-3(2)4(5(10)11)9-14(12,13)6(7)8/h3-4,6,9H,1-2H3,(H,10,11)
InChIKeyNSIQYANRFAMZIA-UHFFFAOYSA-N
XLogP0.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid (CID 43200283) is 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid is CC(C)C(NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid?
The InChIKey is NSIQYANRFAMZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO4S/c1-3(2)4(5(10)11)9-14(12,13)6(7)8/h3-4,6,9H,1-2H3,(H,10,11).
What are the key properties of 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid?
2-(difluoromethylsulfonylamino)-3-methylbutanoic acid has a molecular weight of 231.22 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 43200283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).