2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide

C12H13F3N2O3 — CID 63096892

IUPAC2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1COc2cc(OCC(=O)NCC(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)6-17-11(18)5-19-7-1-2-8-9(16)4-20-10(8)3-7/h1-3,9H,4-6,16H2,(H,17,18)
InChIKeyACZOKNPDVKFOSL-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.14
Rot. Bonds4

About 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63096892) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63096892
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1COc2cc(OCC(=O)NCC(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)6-17-11(18)5-19-7-1-2-8-9(16)4-20-10(8)3-7/h1-3,9H,4-6,16H2,(H,17,18)
InChIKeyACZOKNPDVKFOSL-UHFFFAOYSA-N
XLogP1.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 63096892) is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide is NC1COc2cc(OCC(=O)NCC(F)(F)F)ccc21.
What is the InChIKey of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ACZOKNPDVKFOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)6-17-11(18)5-19-7-1-2-8-9(16)4-20-10(8)3-7/h1-3,9H,4-6,16H2,(H,17,18).
What are the key properties of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63096892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).