ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate

C8H12F2O4S — CID 146441810

IUPACethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H12F2O4S/c1-2-14-7(11)5-15(12,13)6-3-8(9,10)4-6/h6H,2-5H2,1H3
InChIKeyHRKMDGPBGCOVGK-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.76
Rot. Bonds4

About ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate

ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate (PubChem CID 146441810) has the molecular formula C8H12F2O4S and a molecular weight of 242.24 g/mol. Its IUPAC name is ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate
PubChem CID146441810
Molecular FormulaC8H12F2O4S
Molecular Weight242.24 g/mol
Exact Mass242.04
IUPAC Nameethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H12F2O4S/c1-2-14-7(11)5-15(12,13)6-3-8(9,10)4-6/h6H,2-5H2,1H3
InChIKeyHRKMDGPBGCOVGK-UHFFFAOYSA-N
XLogP0.76
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate?
The IUPAC name of ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate (CID 146441810) is ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate?
The canonical SMILES for ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate is CCOC(=O)CS(=O)(=O)C1CC(F)(F)C1.
What is the InChIKey of ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate?
The InChIKey is HRKMDGPBGCOVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O4S/c1-2-14-7(11)5-15(12,13)6-3-8(9,10)4-6/h6H,2-5H2,1H3.
What are the key properties of ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate?
ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate has a molecular weight of 242.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate is sourced from PubChem (CID 146441810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).