2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone

C12H7F4NOS — CID 57070651

IUPAC2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc(C(F)(F)F)ns1
InChIInChI=1S/C12H7F4NOS/c13-8-3-1-7(2-4-8)5-9(18)10-6-11(17-19-10)12(14,15)16/h1-4,6H,5H2
InChIKeyNAZGVTZSXLVHIV-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone

2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone (PubChem CID 57070651) has the molecular formula C12H7F4NOS and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
PubChem CID57070651
Molecular FormulaC12H7F4NOS
Molecular Weight289.25 g/mol
Exact Mass289.02
IUPAC Name2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc(C(F)(F)F)ns1
InChIInChI=1S/C12H7F4NOS/c13-8-3-1-7(2-4-8)5-9(18)10-6-11(17-19-10)12(14,15)16/h1-4,6H,5H2
InChIKeyNAZGVTZSXLVHIV-UHFFFAOYSA-N
XLogP3.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone (CID 57070651) is 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone is O=C(Cc1ccc(F)cc1)c1cc(C(F)(F)F)ns1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
The InChIKey is NAZGVTZSXLVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NOS/c13-8-3-1-7(2-4-8)5-9(18)10-6-11(17-19-10)12(14,15)16/h1-4,6H,5H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone has a molecular weight of 289.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone is sourced from PubChem (CID 57070651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).