1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone

C14H14FNO2 — CID 168924259

IUPAC1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone
SMILESO=C(c1ccc2ccoc2c1)C(NCF)C1CC1
InChIInChI=1S/C14H14FNO2/c15-8-16-13(10-2-3-10)14(17)11-4-1-9-5-6-18-12(9)7-11/h1,4-7,10,13,16H,2-3,8H2
InChIKeyQIXRLOSVDYIVNB-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.91
Rot. Bonds5

About 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone

1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone (PubChem CID 168924259) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone
PubChem CID168924259
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone
SMILESO=C(c1ccc2ccoc2c1)C(NCF)C1CC1
InChIInChI=1S/C14H14FNO2/c15-8-16-13(10-2-3-10)14(17)11-4-1-9-5-6-18-12(9)7-11/h1,4-7,10,13,16H,2-3,8H2
InChIKeyQIXRLOSVDYIVNB-UHFFFAOYSA-N
XLogP2.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-6-yl)-2-(fluoromethylamino)-4-hydroxybutan-1-one
CID 168925906
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one
CID 166892538
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289
[3-[5-(1-benzofuran-6-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-oxopropyl]urea
CID 167765602
N-[(1S,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 98077658
N-[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-1-benzofuran-6-carboxamide
CID 129449962
1-(1-benzofuran-6-yl)ethenol
CID 137387938
3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
CID 166892632
1-(1-benzofuran-5-yl)-4,4-dichloro-2-(methylamino)butan-1-one
CID 166892597
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone?
The IUPAC name of 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone (CID 168924259) is 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone.
What is the SMILES notation for 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone?
The canonical SMILES for 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone is O=C(c1ccc2ccoc2c1)C(NCF)C1CC1.
What is the InChIKey of 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone?
The InChIKey is QIXRLOSVDYIVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-8-16-13(10-2-3-10)14(17)11-4-1-9-5-6-18-12(9)7-11/h1,4-7,10,13,16H,2-3,8H2.
What are the key properties of 1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone?
1-(1-benzofuran-6-yl)-2-cyclopropyl-2-(fluoromethylamino)ethanone has a molecular weight of 247.27 g/mol, XLogP of 2.91, 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-cyclopropyl-2-(fluoromethylamino)ethanone is sourced from PubChem (CID 168924259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).