1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone

C13H15FO2S — CID 104756239

IUPAC1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccccc1F)C1CCCC1
InChIInChI=1S/C13H15FO2S/c14-11-7-3-4-8-13(11)17(16)9-12(15)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyIJHNPDRHIMPGHJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone

1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone (PubChem CID 104756239) has the molecular formula C13H15FO2S and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
PubChem CID104756239
Molecular FormulaC13H15FO2S
Molecular Weight254.33 g/mol
Exact Mass254.08
IUPAC Name1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccccc1F)C1CCCC1
InChIInChI=1S/C13H15FO2S/c14-11-7-3-4-8-13(11)17(16)9-12(15)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyIJHNPDRHIMPGHJ-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone?
The IUPAC name of 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone (CID 104756239) is 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone is O=C(CS(=O)c1ccccc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone?
The InChIKey is IJHNPDRHIMPGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2S/c14-11-7-3-4-8-13(11)17(16)9-12(15)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone?
1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone has a molecular weight of 254.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-fluorophenyl)sulfinylethanone is sourced from PubChem (CID 104756239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).