2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde

C9H9F2NOS — CID 126974275

IUPAC2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C9H9F2NOS/c10-9(11)2-1-6(3-9)8-12-7(4-13)5-14-8/h4-6H,1-3H2
InChIKeyKFBPRULSBCWYAR-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.86
Rot. Bonds2

About 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde

2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 126974275) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde
PubChem CID126974275
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C9H9F2NOS/c10-9(11)2-1-6(3-9)8-12-7(4-13)5-14-8/h4-6H,1-3H2
InChIKeyKFBPRULSBCWYAR-UHFFFAOYSA-N
XLogP2.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde (CID 126974275) is 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(C2CCC(F)(F)C2)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is KFBPRULSBCWYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c10-9(11)2-1-6(3-9)8-12-7(4-13)5-14-8/h4-6H,1-3H2.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde?
2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 217.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 126974275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).