(2-fluorocyclopentyl) 4-methylbenzenesulfinate

C12H15FO2S — CID 68787873

IUPAC(2-fluorocyclopentyl) 4-methylbenzenesulfinate
SMILESCc1ccc(S(=O)OC2CCCC2F)cc1
InChIInChI=1S/C12H15FO2S/c1-9-5-7-10(8-6-9)16(14)15-12-4-2-3-11(12)13/h5-8,11-12H,2-4H2,1H3
InChIKeyGVKJZHDBIXMAIQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.92
Rot. Bonds3

About (2-fluorocyclopentyl) 4-methylbenzenesulfinate

(2-fluorocyclopentyl) 4-methylbenzenesulfinate (PubChem CID 68787873) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is (2-fluorocyclopentyl) 4-methylbenzenesulfinate.

Molecular Properties

Compound Name(2-fluorocyclopentyl) 4-methylbenzenesulfinate
PubChem CID68787873
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name(2-fluorocyclopentyl) 4-methylbenzenesulfinate
SMILESCc1ccc(S(=O)OC2CCCC2F)cc1
InChIInChI=1S/C12H15FO2S/c1-9-5-7-10(8-6-9)16(14)15-12-4-2-3-11(12)13/h5-8,11-12H,2-4H2,1H3
InChIKeyGVKJZHDBIXMAIQ-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluorocyclopentyl) 4-methylbenzenesulfinate 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 (2-fluorocyclopentyl) 4-methylbenzenesulfinate?
The IUPAC name of (2-fluorocyclopentyl) 4-methylbenzenesulfinate (CID 68787873) is (2-fluorocyclopentyl) 4-methylbenzenesulfinate.
What is the SMILES notation for (2-fluorocyclopentyl) 4-methylbenzenesulfinate?
The canonical SMILES for (2-fluorocyclopentyl) 4-methylbenzenesulfinate is Cc1ccc(S(=O)OC2CCCC2F)cc1.
What is the InChIKey of (2-fluorocyclopentyl) 4-methylbenzenesulfinate?
The InChIKey is GVKJZHDBIXMAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-9-5-7-10(8-6-9)16(14)15-12-4-2-3-11(12)13/h5-8,11-12H,2-4H2,1H3.
What are the key properties of (2-fluorocyclopentyl) 4-methylbenzenesulfinate?
(2-fluorocyclopentyl) 4-methylbenzenesulfinate has a molecular weight of 242.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopentyl) 4-methylbenzenesulfinate is sourced from PubChem (CID 68787873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).