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

C9H12F3NO2S — CID 106782206

IUPAC2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol
SMILESCC(C)(CO)COc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NO2S/c1-8(2,4-14)5-15-6-3-13-7(16-6)9(10,11)12/h3,14H,4-5H2,1-2H3
InChIKeyWPAPJHNDOKVUPG-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.56
Rot. Bonds4

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

2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol (PubChem CID 106782206) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol
PubChem CID106782206
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol
SMILESCC(C)(CO)COc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NO2S/c1-8(2,4-14)5-15-6-3-13-7(16-6)9(10,11)12/h3,14H,4-5H2,1-2H3
InChIKeyWPAPJHNDOKVUPG-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782652
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785123
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
[2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propyl]hydrazine
CID 106787056
2-ethoxy-3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782649

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol (CID 106782206) is 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol is CC(C)(CO)COc1cnc(C(F)(F)F)s1.
What is the InChIKey of 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol?
The InChIKey is WPAPJHNDOKVUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-8(2,4-14)5-15-6-3-13-7(16-6)9(10,11)12/h3,14H,4-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol?
2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol has a molecular weight of 255.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol is sourced from PubChem (CID 106782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).