2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine

C13H10F3NO2 — CID 162430148

IUPAC2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2ccoc2c(C(F)(F)F)c2ccoc12
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-9-3-6-18-11(9)7(1-4-17)8-2-5-19-12(8)10/h2-3,5-6H,1,4,17H2
InChIKeyGRPUOVVUAPLYJF-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.70
Rot. Bonds2

About 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine

2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine (PubChem CID 162430148) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
PubChem CID162430148
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2ccoc2c(C(F)(F)F)c2ccoc12
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)10-9-3-6-18-11(9)7(1-4-17)8-2-5-19-12(8)10/h2-3,5-6H,1,4,17H2
InChIKeyGRPUOVVUAPLYJF-UHFFFAOYSA-N
XLogP3.70
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine (CID 162430148) is 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine is NCCc1c2ccoc2c(C(F)(F)F)c2ccoc12.
What is the InChIKey of 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The InChIKey is GRPUOVVUAPLYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)10-9-3-6-18-11(9)7(1-4-17)8-2-5-19-12(8)10/h2-3,5-6H,1,4,17H2.
What are the key properties of 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine has a molecular weight of 269.22 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine is sourced from PubChem (CID 162430148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).