1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone

C11H11F2NO3 — CID 117359147

IUPAC1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(F)c(F)cc2c1OCCO2
InChIInChI=1S/C11H11F2NO3/c1-14-5-7(15)9-10(13)6(12)4-8-11(9)17-3-2-16-8/h4,14H,2-3,5H2,1H3
InChIKeyREFGTEFROILTGT-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.14
Rot. Bonds3

About 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone

1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone (PubChem CID 117359147) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone
PubChem CID117359147
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(F)c(F)cc2c1OCCO2
InChIInChI=1S/C11H11F2NO3/c1-14-5-7(15)9-10(13)6(12)4-8-11(9)17-3-2-16-8/h4,14H,2-3,5H2,1H3
InChIKeyREFGTEFROILTGT-UHFFFAOYSA-N
XLogP1.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
CID 117322855
1-(5-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(methylamino)ethanone
CID 117486127
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanol
CID 117364300
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
7-amino-5-fluoro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
CID 162532885
7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117357486
1-(4-chloro-2,3,5-trifluorophenyl)-2-(methylamino)ethanone
CID 117108354
3-(7-fluoro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 84703227
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
CID 117359405
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117329952
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

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone (CID 117359147) is 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone is CNCC(=O)c1c(F)c(F)cc2c1OCCO2.
What is the InChIKey of 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone?
The InChIKey is REFGTEFROILTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-14-5-7(15)9-10(13)6(12)4-8-11(9)17-3-2-16-8/h4,14H,2-3,5H2,1H3.
What are the key properties of 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone?
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone has a molecular weight of 243.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117359147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).