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

C14H12F3NO2 — CID 162430178

IUPAC2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2ccoc2c(CC(F)(F)F)c2ccoc12
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)7-11-10-3-6-19-12(10)8(1-4-18)9-2-5-20-13(9)11/h2-3,5-6H,1,4,7,18H2
InChIKeyJNKBJCSGUZUUAK-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.79
Rot. Bonds3

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

2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine (PubChem CID 162430178) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
PubChem CID162430178
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2ccoc2c(CC(F)(F)F)c2ccoc12
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)7-11-10-3-6-19-12(10)8(1-4-18)9-2-5-20-13(9)11/h2-3,5-6H,1,4,7,18H2
InChIKeyJNKBJCSGUZUUAK-UHFFFAOYSA-N
XLogP3.79
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine (CID 162430178) is 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine is NCCc1c2ccoc2c(CC(F)(F)F)c2ccoc12.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
The InChIKey is JNKBJCSGUZUUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)7-11-10-3-6-19-12(10)8(1-4-18)9-2-5-20-13(9)11/h2-3,5-6H,1,4,7,18H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine?
2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine has a molecular weight of 283.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)furo[2,3-f][1]benzofuran-8-yl]ethanamine is sourced from PubChem (CID 162430178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).