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

C12H7F4NOS — CID 15239224

IUPAC1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1cnc(C(F)(F)F)s1)c1ccc(F)cc1
InChIInChI=1S/C12H7F4NOS/c13-8-3-1-7(2-4-8)10(18)5-9-6-17-11(19-9)12(14,15)16/h1-4,6H,5H2
InChIKeySEUUPUWYGSMGEU-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.73
Rot. Bonds3

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

1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 15239224) has the molecular formula C12H7F4NOS and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID15239224
Molecular FormulaC12H7F4NOS
Molecular Weight289.25 g/mol
Exact Mass289.02
IUPAC Name1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1cnc(C(F)(F)F)s1)c1ccc(F)cc1
InChIInChI=1S/C12H7F4NOS/c13-8-3-1-7(2-4-8)10(18)5-9-6-17-11(19-9)12(14,15)16/h1-4,6H,5H2
InChIKeySEUUPUWYGSMGEU-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 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 15239224) is 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(Cc1cnc(C(F)(F)F)s1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is SEUUPUWYGSMGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NOS/c13-8-3-1-7(2-4-8)10(18)5-9-6-17-11(19-9)12(14,15)16/h1-4,6H,5H2.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-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 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 15239224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).