2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

C9H10F3NOS — CID 106782441

IUPAC2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-8(2,3)6(14)5-4-13-7(15-5)9(10,11)12/h4H,1-3H3
InChIKeyGAGCOPYEQISMHR-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.39
Rot. Bonds1

About 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782441) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782441
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-8(2,3)6(14)5-4-13-7(15-5)9(10,11)12/h4H,1-3H3
InChIKeyGAGCOPYEQISMHR-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 129269984
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
Carbanide;2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanone;tungsten
CID 161822031
2,2,2-Trifluoro-1-[2-[4-(2-methylbut-3-enyl)cyclooctyl]-1,3-thiazol-5-yl]ethanone
CID 163453156
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
(2-Methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 165405000

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782441) is 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CC(C)(C)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is GAGCOPYEQISMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-8(2,3)6(14)5-4-13-7(15-5)9(10,11)12/h4H,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 237.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).