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

C11H10F3NS — CID 135381115

IUPAC2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine
SMILESNCCc1cc(C(F)(F)F)c2sccc2c1
InChIInChI=1S/C11H10F3NS/c12-11(13,14)9-6-7(1-3-15)5-8-2-4-16-10(8)9/h2,4-6H,1,3,15H2
InChIKeyAQLRXYFGVAHVJD-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.42
Rot. Bonds2

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

2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine (PubChem CID 135381115) has the molecular formula C11H10F3NS and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine
PubChem CID135381115
Molecular FormulaC11H10F3NS
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine
SMILESNCCc1cc(C(F)(F)F)c2sccc2c1
InChIInChI=1S/C11H10F3NS/c12-11(13,14)9-6-7(1-3-15)5-8-2-4-16-10(8)9/h2,4-6H,1,3,15H2
InChIKeyAQLRXYFGVAHVJD-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.42
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?
The IUPAC name of 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine (CID 135381115) is 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine.
What is the SMILES notation for 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine?
The canonical SMILES for 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine is NCCc1cc(C(F)(F)F)c2sccc2c1.
What is the InChIKey of 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine?
The InChIKey is AQLRXYFGVAHVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NS/c12-11(13,14)9-6-7(1-3-15)5-8-2-4-16-10(8)9/h2,4-6H,1,3,15H2.
What are the key properties of 2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine?
2-[7-(trifluoromethyl)-1-benzothiophen-5-yl]ethanamine has a molecular weight of 245.27 g/mol, XLogP of 3.42, 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 is sourced from PubChem (CID 135381115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).