1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone

C11H7F3OS — CID 117123029

IUPAC1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
SMILESCC(=O)c1csc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H7F3OS/c1-6(15)8-5-16-10-7(8)3-2-4-9(10)11(12,13)14/h2-5H,1H3
InChIKeyQHVXVTDQYJCCPF-UHFFFAOYSA-N
MW244.24 g/mol
LogP4.12
Rot. Bonds1

About 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone

1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone (PubChem CID 117123029) has the molecular formula C11H7F3OS and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
PubChem CID117123029
Molecular FormulaC11H7F3OS
Molecular Weight244.24 g/mol
Exact Mass244.02
IUPAC Name1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
SMILESCC(=O)c1csc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H7F3OS/c1-6(15)8-5-16-10-7(8)3-2-4-9(10)11(12,13)14/h2-5H,1H3
InChIKeyQHVXVTDQYJCCPF-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone?
The IUPAC name of 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone (CID 117123029) is 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone.
What is the SMILES notation for 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone?
The canonical SMILES for 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone is CC(=O)c1csc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone?
The InChIKey is QHVXVTDQYJCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3OS/c1-6(15)8-5-16-10-7(8)3-2-4-9(10)11(12,13)14/h2-5H,1H3.
What are the key properties of 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone?
1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone has a molecular weight of 244.24 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone is sourced from PubChem (CID 117123029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).