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

C13H12FNO2 — CID 169028912

IUPAC2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2ccoc2c(CF)c2ccoc12
InChIInChI=1S/C13H12FNO2/c14-7-11-10-3-6-16-12(10)8(1-4-15)9-2-5-17-13(9)11/h2-3,5-6H,1,4,7,15H2
InChIKeyICWYPUHKTHYAPD-UHFFFAOYSA-N
MW233.24 g/mol
LogP3.15
Rot. Bonds3

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

2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine (PubChem CID 169028912) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
PubChem CID169028912
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2ccoc2c(CF)c2ccoc12
InChIInChI=1S/C13H12FNO2/c14-7-11-10-3-6-16-12(10)8(1-4-15)9-2-5-17-13(9)11/h2-3,5-6H,1,4,7,15H2
InChIKeyICWYPUHKTHYAPD-UHFFFAOYSA-N
XLogP3.15
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The IUPAC name of 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine (CID 169028912) is 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine.
What is the SMILES notation for 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The canonical SMILES for 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine is NCCc1c2ccoc2c(CF)c2ccoc12.
What is the InChIKey of 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The InChIKey is ICWYPUHKTHYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-7-11-10-3-6-16-12(10)8(1-4-15)9-2-5-17-13(9)11/h2-3,5-6H,1,4,7,15H2.
What are the key properties of 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine has a molecular weight of 233.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine is sourced from PubChem (CID 169028912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).