2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole

C8H3F6NS — CID 59005853

IUPAC2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole
SMILESFC1(F)C=C(c2nccs2)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F6NS/c9-6(10)3-4(5-15-1-2-16-5)7(11,12)8(6,13)14/h1-3H
InChIKeyQEEOQOKDPYSCPZ-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.45
Rot. Bonds1

About 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole

2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole (PubChem CID 59005853) has the molecular formula C8H3F6NS and a molecular weight of 259.17 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole
PubChem CID59005853
Molecular FormulaC8H3F6NS
Molecular Weight259.17 g/mol
Exact Mass258.99
IUPAC Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole
SMILESFC1(F)C=C(c2nccs2)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F6NS/c9-6(10)3-4(5-15-1-2-16-5)7(11,12)8(6,13)14/h1-3H
InChIKeyQEEOQOKDPYSCPZ-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole 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-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole?
The IUPAC name of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole (CID 59005853) is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole is FC1(F)C=C(c2nccs2)C(F)(F)C1(F)F.
What is the InChIKey of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole?
The InChIKey is QEEOQOKDPYSCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NS/c9-6(10)3-4(5-15-1-2-16-5)7(11,12)8(6,13)14/h1-3H.
What are the key properties of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole?
2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole has a molecular weight of 259.17 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-1,3-thiazole is sourced from PubChem (CID 59005853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).