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

C8H10F3NO2S — CID 106782724

IUPAC3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCOCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NO2S/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4-5,13H,2-3H2,1H3
InChIKeyKWPKIEWVJWZPCX-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.23
Rot. Bonds4

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

3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106782724) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID106782724
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCOCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NO2S/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4-5,13H,2-3H2,1H3
InChIKeyKWPKIEWVJWZPCX-UHFFFAOYSA-N
XLogP2.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106782724) is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is COCCC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is KWPKIEWVJWZPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4-5,13H,2-3H2,1H3.
What are the key properties of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 241.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106782724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).