2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid

C6H8F3NO4S — CID 23208891

IUPAC2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10-4-2-1-3(4)5(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKeyYZHLMEKEYWOGRX-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.29
Rot. Bonds3

About 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid

2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 23208891) has the molecular formula C6H8F3NO4S and a molecular weight of 247.19 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID23208891
Molecular FormulaC6H8F3NO4S
Molecular Weight247.19 g/mol
Exact Mass247.01
IUPAC Name2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10-4-2-1-3(4)5(11)12/h3-4,10H,1-2H2,(H,11,12)
InChIKeyYZHLMEKEYWOGRX-UHFFFAOYSA-N
XLogP0.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid (CID 23208891) is 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is YZHLMEKEYWOGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10-4-2-1-3(4)5(11)12/h3-4,10H,1-2H2,(H,11,12).
What are the key properties of 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 247.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 23208891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).