1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid

C6H9F2NO4S — CID 81165338

IUPAC1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)F)CCC1
InChIInChI=1S/C6H9F2NO4S/c7-5(8)14(12,13)9-6(4(10)11)2-1-3-6/h5,9H,1-3H2,(H,10,11)
InChIKeyVVQVSUOYFLFLII-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.14
Rot. Bonds4

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

1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 81165338) has the molecular formula C6H9F2NO4S and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID81165338
Molecular FormulaC6H9F2NO4S
Molecular Weight229.20 g/mol
Exact Mass229.02
IUPAC Name1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)F)CCC1
InChIInChI=1S/C6H9F2NO4S/c7-5(8)14(12,13)9-6(4(10)11)2-1-3-6/h5,9H,1-3H2,(H,10,11)
InChIKeyVVQVSUOYFLFLII-UHFFFAOYSA-N
XLogP0.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid
CID 43361680
1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 62520783
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
1-(dimethylsulfamoylamino)cyclopentane-1-carboxylic acid
CID 43163284
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
CID 114806428
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165451
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid (CID 81165338) is 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)C(F)F)CCC1.
What is the InChIKey of 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is VVQVSUOYFLFLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO4S/c7-5(8)14(12,13)9-6(4(10)11)2-1-3-6/h5,9H,1-3H2,(H,10,11).
What are the key properties of 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid?
1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 229.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).