2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride

C11H11ClF3NS — CID 135381114

IUPAC2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cc(C(F)(F)F)c2sccc2c1
InChIInChI=1S/C11H10F3NS.ClH/c12-11(13,14)9-6-7(1-3-15)5-8-2-4-16-10(8)9;/h2,4-6H,1,3,15H2;1H
InChIKeyZKVVGLOFSGOTLQ-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.84
Rot. Bonds2

About 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride

2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride (PubChem CID 135381114) has the molecular formula C11H11ClF3NS and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride
PubChem CID135381114
Molecular FormulaC11H11ClF3NS
Molecular Weight281.73 g/mol
Exact Mass281.03
IUPAC Name2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cc(C(F)(F)F)c2sccc2c1
InChIInChI=1S/C11H10F3NS.ClH/c12-11(13,14)9-6-7(1-3-15)5-8-2-4-16-10(8)9;/h2,4-6H,1,3,15H2;1H
InChIKeyZKVVGLOFSGOTLQ-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride (CID 135381114) is 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride is Cl.NCCc1cc(C(F)(F)F)c2sccc2c1.
What is the InChIKey of 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride?
The InChIKey is ZKVVGLOFSGOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NS.ClH/c12-11(13,14)9-6-7(1-3-15)5-8-2-4-16-10(8)9;/h2,4-6H,1,3,15H2;1H.
What are the key properties of 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride?
2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride has a molecular weight of 281.73 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 135381114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).