1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid

C6H8F3NO4S — CID 81164990

IUPAC1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10-5(4(11)12)2-1-3-5/h10H,1-3H2,(H,11,12)
InChIKeyQXJMJLFBPWVODI-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.43
Rot. Bonds3

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

1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 81164990) has the molecular formula C6H8F3NO4S and a molecular weight of 247.19 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID81164990
Molecular FormulaC6H8F3NO4S
Molecular Weight247.19 g/mol
Exact Mass247.01
IUPAC Name1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10-5(4(11)12)2-1-3-5/h10H,1-3H2,(H,11,12)
InChIKeyQXJMJLFBPWVODI-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid (CID 81164990) is 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)C(F)(F)F)CCC1.
What is the InChIKey of 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is QXJMJLFBPWVODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4S/c7-6(8,9)15(13,14)10-5(4(11)12)2-1-3-5/h10H,1-3H2,(H,11,12).
What are the key properties of 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 247.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).