2-(difluoromethylsulfonylamino)-2-methylpropanoic acid

C5H9F2NO4S — CID 61262481

IUPAC2-(difluoromethylsulfonylamino)-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C5H9F2NO4S/c1-5(2,3(9)10)8-13(11,12)4(6)7/h4,8H,1-2H3,(H,9,10)
InChIKeyWECKAIDHMHVMAD-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.01
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid

2-(difluoromethylsulfonylamino)-2-methylpropanoic acid (PubChem CID 61262481) has the molecular formula C5H9F2NO4S and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-2-methylpropanoic acid
PubChem CID61262481
Molecular FormulaC5H9F2NO4S
Molecular Weight217.19 g/mol
Exact Mass217.02
IUPAC Name2-(difluoromethylsulfonylamino)-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C5H9F2NO4S/c1-5(2,3(9)10)8-13(11,12)4(6)7/h4,8H,1-2H3,(H,9,10)
InChIKeyWECKAIDHMHVMAD-UHFFFAOYSA-N
XLogP-0.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid (CID 61262481) is 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid is CC(C)(NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid?
The InChIKey is WECKAIDHMHVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO4S/c1-5(2,3(9)10)8-13(11,12)4(6)7/h4,8H,1-2H3,(H,9,10).
What are the key properties of 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid?
2-(difluoromethylsulfonylamino)-2-methylpropanoic acid has a molecular weight of 217.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 61262481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).