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

Name: 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₀F₃NO₂S — CID 106782500

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

SMILESCCOC(C)C(=O)c1cnc(C(F)(F)F)s1

InChIInChI=1S/C9H10F3NO2S/c1-3-15-5(2)7(14)6-4-13-8(16-6)9(10,11)12/h4-5H,3H2,1-2H3

InChIKeyNETFEUYJUHVBEC-UHFFFAOYSA-N

MW253.24 g/mol

LogP2.77

Rot. Bonds4

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

2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782500) has the molecular formula C₉H₁₀F₃NO₂S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name	2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID	106782500
Molecular Formula	C₉H₁₀F₃NO₂S
Molecular Weight	253.24 g/mol
Exact Mass	253.04
IUPAC Name	2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILES	CCOC(C)C(=O)c1cnc(C(F)(F)F)s1
InChI	InChI=1S/C9H10F3NO2S/c1-3-15-5(2)7(14)6-4-13-8(16-6)9(10,11)12/h4-5H,3H2,1-2H3
InChIKey	NETFEUYJUHVBEC-UHFFFAOYSA-N
XLogP	2.77
TPSA	39.19 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.24
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?

The IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782500) is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

What is the SMILES notation for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?

The canonical SMILES for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CCOC(C)C(=O)c1cnc(C(F)(F)F)s1.

What is the InChIKey of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?

The InChIKey is NETFEUYJUHVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-3-15-5(2)7(14)6-4-13-8(16-6)9(10,11)12/h4-5H,3H2,1-2H3.

What are the key properties of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?

2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 253.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 106782500 — identifiers, structure, computed properties (public domain)

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