4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one

C10H10F3NO2S — CID 106782155

IUPAC4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)8-14-5-7(17-8)9(16)3-1-6(15)2-4-9/h5,16H,1-4H2
InChIKeyGFIPEHUMJXOFAK-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.49
Rot. Bonds1

About 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one

4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one (PubChem CID 106782155) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
PubChem CID106782155
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)8-14-5-7(17-8)9(16)3-1-6(15)2-4-9/h5,16H,1-4H2
InChIKeyGFIPEHUMJXOFAK-UHFFFAOYSA-N
XLogP2.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-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 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one (CID 106782155) is 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one is O=C1CCC(O)(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
The InChIKey is GFIPEHUMJXOFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)8-14-5-7(17-8)9(16)3-1-6(15)2-4-9/h5,16H,1-4H2.
What are the key properties of 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one?
4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one has a molecular weight of 265.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 106782155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).