1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone

C11H12FNO3 — CID 117322855

IUPAC1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H12FNO3/c1-13-6-8(14)7-2-3-9-11(10(7)12)16-5-4-15-9/h2-3,13H,4-6H2,1H3
InChIKeyJKSZLNRPMMOMOI-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.00
Rot. Bonds3

About 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone

1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone (PubChem CID 117322855) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
PubChem CID117322855
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H12FNO3/c1-13-6-8(14)7-2-3-9-11(10(7)12)16-5-4-15-9/h2-3,13H,4-6H2,1H3
InChIKeyJKSZLNRPMMOMOI-UHFFFAOYSA-N
XLogP1.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone
CID 117359147
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
1-(5-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)ethanone
CID 117486127
1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone
CID 117295815
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
N'-tert-butyl-5-ethyl-N-(2,3,4,5-tetrafluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 118643749
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
CID 117414294
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone
CID 117324410
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117302822
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid
CID 117324699

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone (CID 117322855) is 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone is CNCC(=O)c1ccc2c(c1F)OCCO2.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone?
The InChIKey is JKSZLNRPMMOMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-13-6-8(14)7-2-3-9-11(10(7)12)16-5-4-15-9/h2-3,13H,4-6H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone?
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone has a molecular weight of 225.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117322855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).