1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C8H6BrF3O2S — CID 43799447

IUPAC1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H6BrF3O2S/c9-7-2-1-6(15-7)5(13)3-14-4-8(10,11)12/h1-2H,3-4H2
InChIKeyRALHVYSGJDXRBV-UHFFFAOYSA-N
MW303.10 g/mol
LogP3.27
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799447) has the molecular formula C8H6BrF3O2S and a molecular weight of 303.10 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799447
Molecular FormulaC8H6BrF3O2S
Molecular Weight303.10 g/mol
Exact Mass301.92
IUPAC Name1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H6BrF3O2S/c9-7-2-1-6(15-7)5(13)3-14-4-8(10,11)12/h1-2H,3-4H2
InChIKeyRALHVYSGJDXRBV-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799447) is 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is RALHVYSGJDXRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O2S/c9-7-2-1-6(15-7)5(13)3-14-4-8(10,11)12/h1-2H,3-4H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 303.10 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).