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

C8H8F3NO2S — CID 174708921

IUPAC1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-2-5(13)6-3-12-7(15-6)14-4-8(9,10)11/h3H,2,4H2,1H3
InChIKeyKYJUUJADPAOIKG-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.68
Rot. Bonds4

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

1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 174708921) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
PubChem CID174708921
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-2-5(13)6-3-12-7(15-6)14-4-8(9,10)11/h3H,2,4H2,1H3
InChIKeyKYJUUJADPAOIKG-UHFFFAOYSA-N
XLogP2.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2,2-Difluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 87864891
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
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
Carbanide;2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanone;tungsten
CID 161822031
Ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 170758118
1-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]ethanone
CID 79964750

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one (CID 174708921) is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is KYJUUJADPAOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-2-5(13)6-3-12-7(15-6)14-4-8(9,10)11/h3H,2,4H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one?
1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 239.22 g/mol, XLogP of 2.68, 4 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]propan-1-one is sourced from PubChem (CID 174708921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).