(4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid

C13H14F2O4S — CID 122451409

IUPAC(4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)C[C@@H](F)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14F2O4S/c1-13(12(16)17)7-9(15)6-11(13)20(18,19)10-4-2-8(14)3-5-10/h2-5,9,11H,6-7H2,1H3,(H,16,17)/t9-,11?,13?/m0/s1
InChIKeyJEGVXYBVKQZOED-FJJSSXBZSA-N
MW304.31 g/mol
LogP2.19
Rot. Bonds3

About (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid

(4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid (PubChem CID 122451409) has the molecular formula C13H14F2O4S and a molecular weight of 304.31 g/mol. Its IUPAC name is (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid
PubChem CID122451409
Molecular FormulaC13H14F2O4S
Molecular Weight304.31 g/mol
Exact Mass304.06
IUPAC Name(4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)C[C@@H](F)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14F2O4S/c1-13(12(16)17)7-9(15)6-11(13)20(18,19)10-4-2-8(14)3-5-10/h2-5,9,11H,6-7H2,1H3,(H,16,17)/t9-,11?,13?/m0/s1
InChIKeyJEGVXYBVKQZOED-FJJSSXBZSA-N
XLogP2.19
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid (CID 122451409) is (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)C[C@@H](F)CC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JEGVXYBVKQZOED-FJJSSXBZSA-N. The full InChI is InChI=1S/C13H14F2O4S/c1-13(12(16)17)7-9(15)6-11(13)20(18,19)10-4-2-8(14)3-5-10/h2-5,9,11H,6-7H2,1H3,(H,16,17)/t9-,11?,13?/m0/s1.
What are the key properties of (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid?
(4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 122451409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).