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

C7H6F3NO2S — CID 58629012

IUPAC1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-4(12)5-2-11-6(14-5)13-3-7(8,9)10/h2H,3H2,1H3
InChIKeyJNLZOKUHTYSGST-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.29
Rot. Bonds3

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

1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone (PubChem CID 58629012) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
PubChem CID58629012
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-4(12)5-2-11-6(14-5)13-3-7(8,9)10/h2H,3H2,1H3
InChIKeyJNLZOKUHTYSGST-UHFFFAOYSA-N
XLogP2.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone (CID 58629012) is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone?
The InChIKey is JNLZOKUHTYSGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-4(12)5-2-11-6(14-5)13-3-7(8,9)10/h2H,3H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone?
1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone has a molecular weight of 225.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58629012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).