1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

C14H15F2NO3 — CID 107481127

IUPAC1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1coc2ccccc12
InChIInChI=1S/C14H15F2NO3/c15-14(16)8-17(5-6-18)7-12(19)11-9-20-13-4-2-1-3-10(11)13/h1-4,9,14,18H,5-8H2
InChIKeyQDFRJXLFFPULFJ-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.17
Rot. Bonds7

About 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (PubChem CID 107481127) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
PubChem CID107481127
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)c1coc2ccccc12
InChIInChI=1S/C14H15F2NO3/c15-14(16)8-17(5-6-18)7-12(19)11-9-20-13-4-2-1-3-10(11)13/h1-4,9,14,18H,5-8H2
InChIKeyQDFRJXLFFPULFJ-UHFFFAOYSA-N
XLogP2.17
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (CID 107481127) is 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)CC(F)F)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is QDFRJXLFFPULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-14(16)8-17(5-6-18)7-12(19)11-9-20-13-4-2-1-3-10(11)13/h1-4,9,14,18H,5-8H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 283.27 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 107481127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).