1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone

C10H11F2NOS — CID 130484840

IUPAC1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)C1CCC(F)(F)C1
InChIInChI=1S/C10H11F2NOS/c11-10(12)2-1-7(6-10)8(14)5-9-13-3-4-15-9/h3-4,7H,1-2,5-6H2
InChIKeyFKPUZSSOFOGISJ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.69
Rot. Bonds3

About 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone

1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 130484840) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID130484840
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)C1CCC(F)(F)C1
InChIInChI=1S/C10H11F2NOS/c11-10(12)2-1-7(6-10)8(14)5-9-13-3-4-15-9/h3-4,7H,1-2,5-6H2
InChIKeyFKPUZSSOFOGISJ-UHFFFAOYSA-N
XLogP2.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone (CID 130484840) is 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)C1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is FKPUZSSOFOGISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c11-10(12)2-1-7(6-10)8(14)5-9-13-3-4-15-9/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 231.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 130484840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).