1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid

C9H14F3NO4S — CID 83068334

IUPAC1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)CCCC(F)(F)F)CCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)5-2-6-18(16,17)13-8(7(14)15)3-1-4-8/h13H,1-6H2,(H,14,15)
InChIKeyROILDSOLQAYAIP-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.26
Rot. Bonds6

About 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid

1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 83068334) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID83068334
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)CCCC(F)(F)F)CCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)5-2-6-18(16,17)13-8(7(14)15)3-1-4-8/h13H,1-6H2,(H,14,15)
InChIKeyROILDSOLQAYAIP-UHFFFAOYSA-N
XLogP1.26
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-1-amino-2-fluoro-2-(sulfomethyl)cyclopropane-1-carboxylic acid
CID 50902538
cis-(1S,2S)-1-amino-2-fluoro-2-(sulfomethyl)cyclopropane-1-carboxylic acid
CID 50902625
(2S)-1-amino-2-fluoro-2-(sulfomethyl)cyclopropane-1-carboxylic acid
CID 88857645
2-(Difluoromethylsulfonylamino)-2-methylpentanoic acid
CID 43619244
2-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 43619261
1-Amino-2-fluoro-2-(sulfomethyl)cyclopropane-1-carboxylic acid
CID 75577565
1-(Trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164990
1-(Difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165338
1-(4,4,4-Trifluorobutylsulfonylamino)cyclopropane-1-carboxylic acid
CID 83067806
4-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83067879
2-Cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
CID 83068250
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83068405

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid (CID 83068334) is 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)CCCC(F)(F)F)CCC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is ROILDSOLQAYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)5-2-6-18(16,17)13-8(7(14)15)3-1-4-8/h13H,1-6H2,(H,14,15).
What are the key properties of 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid?
1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 289.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83068334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).