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

C9H10F3NO2S — CID 106782500

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 Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782500
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2-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
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 129269984
1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150093
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150094
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782436
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782438
3-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782450
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782452
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460

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).