(1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid

C12H12F2O4S — CID 118008493

IUPAC(1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](F)C[C@H]1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12F2O4S/c13-7-1-3-9(4-2-7)19(17,18)11-6-8(14)5-10(11)12(15)16/h1-4,8,10-11H,5-6H2,(H,15,16)/t8-,10+,11-/m1/s1
InChIKeyPIIZFFLOTVGXOA-DVVUODLYSA-N
MW290.29 g/mol
LogP1.80
Rot. Bonds3

About (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid

(1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 118008493) has the molecular formula C12H12F2O4S and a molecular weight of 290.29 g/mol. Its IUPAC name is (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID118008493
Molecular FormulaC12H12F2O4S
Molecular Weight290.29 g/mol
Exact Mass290.04
IUPAC Name(1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](F)C[C@H]1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12F2O4S/c13-7-1-3-9(4-2-7)19(17,18)11-6-8(14)5-10(11)12(15)16/h1-4,8,10-11H,5-6H2,(H,15,16)/t8-,10+,11-/m1/s1
InChIKeyPIIZFFLOTVGXOA-DVVUODLYSA-N
XLogP1.80
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid (CID 118008493) is (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H](F)C[C@H]1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is PIIZFFLOTVGXOA-DVVUODLYSA-N. The full InChI is InChI=1S/C12H12F2O4S/c13-7-1-3-9(4-2-7)19(17,18)11-6-8(14)5-10(11)12(15)16/h1-4,8,10-11H,5-6H2,(H,15,16)/t8-,10+,11-/m1/s1.
What are the key properties of (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid?
(1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-4-fluoro-2-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 118008493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).