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

C7H6F3NOS — CID 106782436

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c1-2-4(12)5-3-11-6(13-5)7(8,9)10/h3H,2H2,1H3
InChIKeyJAFHQMOZKBYWGM-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.75
Rot. Bonds2

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

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782436) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782436
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c1-2-4(12)5-3-11-6(13-5)7(8,9)10/h3H,2H2,1H3
InChIKeyJAFHQMOZKBYWGM-UHFFFAOYSA-N
XLogP2.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-5-yl)ethan-1-one
CID 14042329
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-one
CID 20815186
1-(2-Bromo-1,3-thiazol-5-yl)ethan-1-one
CID 57562813
1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
5-Thiazolyl ketone
CID 19047441
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
2-(4,4,4-Trifluoro-2-oxobutyl)-1,3-thiazole-5-carbaldehyde
CID 58378435
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
Ethanone, 1-(2-bromo-5-thiazolyl)-2,2,2-trifluoro-
CID 67324338
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-[2-(Fluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 69675720

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782436) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is JAFHQMOZKBYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-2-4(12)5-3-11-6(13-5)7(8,9)10/h3H,2H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 209.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).