1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol

C8H8BrF3O2S — CID 103216967

IUPAC1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C8H8BrF3O2S/c9-6-3-15-2-5(6)7(13)1-14-4-8(10,11)12/h2-3,7,13H,1,4H2
InChIKeyKKEAPCVQVGBMRZ-UHFFFAOYSA-N
MW305.12 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103216967) has the molecular formula C8H8BrF3O2S and a molecular weight of 305.12 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103216967
Molecular FormulaC8H8BrF3O2S
Molecular Weight305.12 g/mol
Exact Mass303.94
IUPAC Name1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C8H8BrF3O2S/c9-6-3-15-2-5(6)7(13)1-14-4-8(10,11)12/h2-3,7,13H,1,4H2
InChIKeyKKEAPCVQVGBMRZ-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol 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-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103216967) is 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol is OC(COCC(F)(F)F)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is KKEAPCVQVGBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3O2S/c9-6-3-15-2-5(6)7(13)1-14-4-8(10,11)12/h2-3,7,13H,1,4H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 305.12 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103216967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).