1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid

C11H11FO4S — CID 43519380

IUPAC1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(F)cc2)CCC1
InChIInChI=1S/C11H11FO4S/c12-8-2-4-9(5-3-8)17(15,16)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChIKeyLZVBYTFPEOJLLF-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.61
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid

1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid (PubChem CID 43519380) has the molecular formula C11H11FO4S and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid
PubChem CID43519380
Molecular FormulaC11H11FO4S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(F)cc2)CCC1
InChIInChI=1S/C11H11FO4S/c12-8-2-4-9(5-3-8)17(15,16)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChIKeyLZVBYTFPEOJLLF-UHFFFAOYSA-N
XLogP1.61
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid (CID 43519380) is 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
The InChIKey is LZVBYTFPEOJLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4S/c12-8-2-4-9(5-3-8)17(15,16)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14).
What are the key properties of 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid?
1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 43519380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).