1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C8H8F3NO2S — CID 103214343

IUPAC1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)Cc1cncs1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)4-14-3-6(13)1-7-2-12-5-15-7/h2,5H,1,3-4H2
InChIKeyPCWUYLFNNYRIIR-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.83
Rot. Bonds5

About 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214343) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214343
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)Cc1cncs1
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)4-14-3-6(13)1-7-2-12-5-15-7/h2,5H,1,3-4H2
InChIKeyPCWUYLFNNYRIIR-UHFFFAOYSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214343) is 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is O=C(COCC(F)(F)F)Cc1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is PCWUYLFNNYRIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c9-8(10,11)4-14-3-6(13)1-7-2-12-5-15-7/h2,5H,1,3-4H2.
What are the key properties of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 239.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).