2-cyclobutyl-1,1-difluoroethanesulfonic acid

C6H10F2O3S — CID 23082483

IUPAC2-cyclobutyl-1,1-difluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)CC1CCC1
InChIInChI=1S/C6H10F2O3S/c7-6(8,12(9,10)11)4-5-2-1-3-5/h5H,1-4H2,(H,9,10,11)
InChIKeyXUDXLOYQCNJODC-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.66
Rot. Bonds3

About 2-cyclobutyl-1,1-difluoroethanesulfonic acid

2-cyclobutyl-1,1-difluoroethanesulfonic acid (PubChem CID 23082483) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-cyclobutyl-1,1-difluoroethanesulfonic acid.

Molecular Properties

Compound Name2-cyclobutyl-1,1-difluoroethanesulfonic acid
PubChem CID23082483
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name2-cyclobutyl-1,1-difluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)CC1CCC1
InChIInChI=1S/C6H10F2O3S/c7-6(8,12(9,10)11)4-5-2-1-3-5/h5H,1-4H2,(H,9,10,11)
InChIKeyXUDXLOYQCNJODC-UHFFFAOYSA-N
XLogP1.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 87664780
1,3-dicyclohexyl-2-methylsulfonylpropane-2-sulfonic acid
CID 139523819
(3S)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11630117
2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonic acid
CID 59660383
2-(cyclononanecarbonyloxy)-1,1-difluoroethanesulfonic acid
CID 129070762
cyclobutylmethanol;methanesulfonic acid
CID 71380993
but-3-enylcyclopentane;propane-2,2-diol;trifluoromethanesulfonic acid
CID 142318314
2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115036499
carbanide;bis(cyclopentane);bis(trifluoromethanesulfonic acid);vanadium(2+)
CID 162298003
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
sodium;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonic acid;hydride
CID 173100504
2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115044604

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,1-difluoroethanesulfonic acid?
The IUPAC name of 2-cyclobutyl-1,1-difluoroethanesulfonic acid (CID 23082483) is 2-cyclobutyl-1,1-difluoroethanesulfonic acid.
What is the SMILES notation for 2-cyclobutyl-1,1-difluoroethanesulfonic acid?
The canonical SMILES for 2-cyclobutyl-1,1-difluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1,1-difluoroethanesulfonic acid?
The InChIKey is XUDXLOYQCNJODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c7-6(8,12(9,10)11)4-5-2-1-3-5/h5H,1-4H2,(H,9,10,11).
What are the key properties of 2-cyclobutyl-1,1-difluoroethanesulfonic acid?
2-cyclobutyl-1,1-difluoroethanesulfonic acid has a molecular weight of 200.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,1-difluoroethanesulfonic acid is sourced from PubChem (CID 23082483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).