1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one

C13H13F2NO2 — CID 166892538

IUPAC1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one
SMILESCCNC(C(=O)c1ccc2ccoc2c1)C(F)F
InChIInChI=1S/C13H13F2NO2/c1-2-16-11(13(14)15)12(17)9-4-3-8-5-6-18-10(8)7-9/h3-7,11,13,16H,2H2,1H3
InChIKeyWEPPKABWGVBLTF-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.86
Rot. Bonds5

About 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one

1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one (PubChem CID 166892538) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one
PubChem CID166892538
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one
SMILESCCNC(C(=O)c1ccc2ccoc2c1)C(F)F
InChIInChI=1S/C13H13F2NO2/c1-2-16-11(13(14)15)12(17)9-4-3-8-5-6-18-10(8)7-9/h3-7,11,13,16H,2H2,1H3
InChIKeyWEPPKABWGVBLTF-UHFFFAOYSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
1-(1-benzofuran-6-yl)-2-(fluoromethylamino)-4-hydroxybutan-1-one
CID 168925906
3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
CID 166892632
1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone
CID 168924259
2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine
CID 168925902
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123
3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol
CID 166892615
1-(1-benzofuran-6-yl)ethenol
CID 137387938
1-(1-benzofuran-6-yl)-4-chloro-2-(ethylamino)butan-1-ol
CID 163780853
(2S)-1-(1,3-benzodioxol-5-yl)-2-(ethylamino)-3-methylbutan-1-one
CID 95459831

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one?
The IUPAC name of 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one (CID 166892538) is 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one.
What is the SMILES notation for 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one?
The canonical SMILES for 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one is CCNC(C(=O)c1ccc2ccoc2c1)C(F)F.
What is the InChIKey of 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one?
The InChIKey is WEPPKABWGVBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-2-16-11(13(14)15)12(17)9-4-3-8-5-6-18-10(8)7-9/h3-7,11,13,16H,2H2,1H3.
What are the key properties of 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one?
1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one has a molecular weight of 253.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one is sourced from PubChem (CID 166892538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).