[3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol

C12H11F3OS — CID 58917959

IUPAC[3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol
SMILESCCc1c(CO)sc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H11F3OS/c1-2-8-9-4-3-7(12(13,14)15)5-10(9)17-11(8)6-16/h3-5,16H,2,6H2,1H3
InChIKeyVBJMPBDEZCLLCZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.97
Rot. Bonds2

About [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol

[3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol (PubChem CID 58917959) has the molecular formula C12H11F3OS and a molecular weight of 260.28 g/mol. Its IUPAC name is [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol
PubChem CID58917959
Molecular FormulaC12H11F3OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name[3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol
SMILESCCc1c(CO)sc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H11F3OS/c1-2-8-9-4-3-7(12(13,14)15)5-10(9)17-11(8)6-16/h3-5,16H,2,6H2,1H3
InChIKeyVBJMPBDEZCLLCZ-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol 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 [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol?
The IUPAC name of [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol (CID 58917959) is [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol is CCc1c(CO)sc2cc(C(F)(F)F)ccc12.
What is the InChIKey of [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol?
The InChIKey is VBJMPBDEZCLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3OS/c1-2-8-9-4-3-7(12(13,14)15)5-10(9)17-11(8)6-16/h3-5,16H,2,6H2,1H3.
What are the key properties of [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol?
[3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol has a molecular weight of 260.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 58917959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).