5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one

C8H8F3NOS — CID 79953272

IUPAC5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)2-1-6(13)5-7-12-3-4-14-7/h3-4H,1-2,5H2
InChIKeyJLMOFOKYIYEUEO-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.60
Rot. Bonds4

About 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one

5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one (PubChem CID 79953272) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one
PubChem CID79953272
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)2-1-6(13)5-7-12-3-4-14-7/h3-4H,1-2,5H2
InChIKeyJLMOFOKYIYEUEO-UHFFFAOYSA-N
XLogP2.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one 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 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one (CID 79953272) is 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one is O=C(CCC(F)(F)F)Cc1nccs1.
What is the InChIKey of 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is JLMOFOKYIYEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c9-8(10,11)2-1-6(13)5-7-12-3-4-14-7/h3-4H,1-2,5H2.
What are the key properties of 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one?
5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 223.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 79953272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).