2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid

C8H13FO4S — CID 81357748

IUPAC2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid
SMILESCS(=O)(=O)C1CCCC1C(F)C(=O)O
InChIInChI=1S/C8H13FO4S/c1-14(12,13)6-4-2-3-5(6)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyKLTGFENCVSPTFR-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.62
Rot. Bonds3

About 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid

2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid (PubChem CID 81357748) has the molecular formula C8H13FO4S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid
PubChem CID81357748
Molecular FormulaC8H13FO4S
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid
SMILESCS(=O)(=O)C1CCCC1C(F)C(=O)O
InChIInChI=1S/C8H13FO4S/c1-14(12,13)6-4-2-3-5(6)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyKLTGFENCVSPTFR-UHFFFAOYSA-N
XLogP0.62
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid (CID 81357748) is 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid is CS(=O)(=O)C1CCCC1C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid?
The InChIKey is KLTGFENCVSPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO4S/c1-14(12,13)6-4-2-3-5(6)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid?
2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid has a molecular weight of 224.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methylsulfonylcyclopentyl)acetic acid is sourced from PubChem (CID 81357748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).