1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone

C7H6F3NOS — CID 62652804

IUPAC1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c1-4(12)5-3-11-6(13-5)2-7(8,9)10/h3H,2H2,1H3
InChIKeyBOMKKZWRBWNPPQ-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.45
Rot. Bonds2

About 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone

1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62652804) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID62652804
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c1-4(12)5-3-11-6(13-5)2-7(8,9)10/h3H,2H2,1H3
InChIKeyBOMKKZWRBWNPPQ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone (CID 62652804) is 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(CC(F)(F)F)s1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is BOMKKZWRBWNPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-4(12)5-3-11-6(13-5)2-7(8,9)10/h3H,2H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 209.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62652804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).