2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine

C11H10F3NO — CID 117122368

IUPAC2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine
SMILESNCCc1cc2ccc(C(F)(F)F)cc2o1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-2-1-7-5-9(3-4-15)16-10(7)6-8/h1-2,5-6H,3-4,15H2
InChIKeyLJAIHOLOBOSVDG-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.95
Rot. Bonds2

About 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine

2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine (PubChem CID 117122368) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine
PubChem CID117122368
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine
SMILESNCCc1cc2ccc(C(F)(F)F)cc2o1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)8-2-1-7-5-9(3-4-15)16-10(7)6-8/h1-2,5-6H,3-4,15H2
InChIKeyLJAIHOLOBOSVDG-UHFFFAOYSA-N
XLogP2.95
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine
CID 165468359
2-(6-bromo-1-benzofuran-2-yl)ethanamine
CID 71291046
2,2-dimethyl-3-[6-(trifluoromethyl)-1-benzofuran-2-yl]propanoic acid
CID 117195729
2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine
CID 70482672
6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran
CID 122202477
2-[5-(trifluoromethyl)furan-2-yl]ethanamine
CID 82409788
ethyl 6-(trifluoromethyl)-1-benzofuran-2-carboxylate
CID 90154398
3-(hydroxymethyl)-7-(trifluoromethyl)chromen-2-one
CID 170712415
3-[6-(trifluoromethyl)-1-benzofuran-2-yl]butanoic acid
CID 117122377
2-(aminomethyl)-1-benzofuran-6-amine
CID 45122675
2-[4-(trifluoromethyl)furan-2-yl]ethanamine
CID 82409789
[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol
CID 70483149

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine (CID 117122368) is 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine is NCCc1cc2ccc(C(F)(F)F)cc2o1.
What is the InChIKey of 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine?
The InChIKey is LJAIHOLOBOSVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)8-2-1-7-5-9(3-4-15)16-10(7)6-8/h1-2,5-6H,3-4,15H2.
What are the key properties of 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine?
2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine has a molecular weight of 229.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 117122368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).