2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C10H10F3NO2S — CID 106782629

IUPAC2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(CC1CCOC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-4-8(17-9)7(15)3-6-1-2-16-5-6/h4,6H,1-3,5H2
InChIKeyVQGLLKGEYZVAOQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.77
Rot. Bonds3

About 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782629) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106782629
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(CC1CCOC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-4-8(17-9)7(15)3-6-1-2-16-5-6/h4,6H,1-3,5H2
InChIKeyVQGLLKGEYZVAOQ-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 105743920
2-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782429
3-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
Cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782437
Cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
4-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106782453
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782491
Cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782505
4-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782506
Oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782517
Oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782518
Oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782519

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782629) is 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(CC1CCOC1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VQGLLKGEYZVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-4-8(17-9)7(15)3-6-1-2-16-5-6/h4,6H,1-3,5H2.
What are the key properties of 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 265.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).