2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid

C11H20F3NO4S — CID 83067732

IUPAC2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
SMILESCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H20F3NO4S/c1-9(2,8(16)17)10(3,4)15-20(18,19)7-5-6-11(12,13)14/h15H,5-7H2,1-4H3,(H,16,17)
InChIKeyRYFDEZURTRBERT-UHFFFAOYSA-N
MW319.35 g/mol
LogP2.14
Rot. Bonds7

About 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid

2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid (PubChem CID 83067732) has the molecular formula C11H20F3NO4S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
PubChem CID83067732
Molecular FormulaC11H20F3NO4S
Molecular Weight319.35 g/mol
Exact Mass319.11
IUPAC Name2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
SMILESCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H20F3NO4S/c1-9(2,8(16)17)10(3,4)15-20(18,19)7-5-6-11(12,13)14/h15H,5-7H2,1-4H3,(H,16,17)
InChIKeyRYFDEZURTRBERT-UHFFFAOYSA-N
XLogP2.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid (CID 83067732) is 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid is CC(C)(NS(=O)(=O)CCCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
The InChIKey is RYFDEZURTRBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO4S/c1-9(2,8(16)17)10(3,4)15-20(18,19)7-5-6-11(12,13)14/h15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid?
2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid has a molecular weight of 319.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(4,4,4-trifluorobutylsulfonylamino)butanoic acid is sourced from PubChem (CID 83067732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).