1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

C13H12F3NO2 — CID 60892557

IUPAC1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)CC(F)(F)F
InChIInChI=1S/C13H12F3NO2/c1-17(8-13(14,15)16)6-11(18)10-7-19-12-5-3-2-4-9(10)12/h2-5,7H,6,8H2,1H3
InChIKeyVQEFTCNYOWQIHS-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.11
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 60892557) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID60892557
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)CC(F)(F)F
InChIInChI=1S/C13H12F3NO2/c1-17(8-13(14,15)16)6-11(18)10-7-19-12-5-3-2-4-9(10)12/h2-5,7H,6,8H2,1H3
InChIKeyVQEFTCNYOWQIHS-UHFFFAOYSA-N
XLogP3.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 60892557) is 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is CN(CC(=O)c1coc2ccccc12)CC(F)(F)F.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is VQEFTCNYOWQIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-17(8-13(14,15)16)6-11(18)10-7-19-12-5-3-2-4-9(10)12/h2-5,7H,6,8H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 271.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 60892557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).