2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine

C13H14F3NO2 — CID 162430088

IUPAC2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine
SMILESCOc1cc(CC(F)(F)F)c2occc2c1CCN
InChIInChI=1S/C13H14F3NO2/c1-18-11-6-8(7-13(14,15)16)12-10(3-5-19-12)9(11)2-4-17/h3,5-6H,2,4,7,17H2,1H3
InChIKeyOYUQOAIKOKXQEW-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.05
Rot. Bonds4

About 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine

2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine (PubChem CID 162430088) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine
PubChem CID162430088
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine
SMILESCOc1cc(CC(F)(F)F)c2occc2c1CCN
InChIInChI=1S/C13H14F3NO2/c1-18-11-6-8(7-13(14,15)16)12-10(3-5-19-12)9(11)2-4-17/h3,5-6H,2,4,7,17H2,1H3
InChIKeyOYUQOAIKOKXQEW-UHFFFAOYSA-N
XLogP3.05
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine?
The IUPAC name of 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine (CID 162430088) is 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine?
The canonical SMILES for 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine is COc1cc(CC(F)(F)F)c2occc2c1CCN.
What is the InChIKey of 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine?
The InChIKey is OYUQOAIKOKXQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-18-11-6-8(7-13(14,15)16)12-10(3-5-19-12)9(11)2-4-17/h3,5-6H,2,4,7,17H2,1H3.
What are the key properties of 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine?
2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine has a molecular weight of 273.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine is sourced from PubChem (CID 162430088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).