1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol

C8H10F3NO2S — CID 103476130

IUPAC1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3NO2S/c1-5(13)6-3-15-7(12-6)2-14-4-8(9,10)11/h3,5,13H,2,4H2,1H3
InChIKeyKAKBUURSIWAICP-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol

1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 103476130) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID103476130
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3NO2S/c1-5(13)6-3-15-7(12-6)2-14-4-8(9,10)11/h3,5,13H,2,4H2,1H3
InChIKeyKAKBUURSIWAICP-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol (CID 103476130) is 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(COCC(F)(F)F)n1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is KAKBUURSIWAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-5(13)6-3-15-7(12-6)2-14-4-8(9,10)11/h3,5,13H,2,4H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 241.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 103476130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).