2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one

C11H12FNO3 — CID 84689622

IUPAC2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one
SMILESCC(N)C(=O)c1c(F)ccc2c1OCCO2
InChIInChI=1S/C11H12FNO3/c1-6(13)10(14)9-7(12)2-3-8-11(9)16-5-4-15-8/h2-3,6H,4-5,13H2,1H3
InChIKeyNRDWLKVKAHDPMG-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one

2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one (PubChem CID 84689622) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one
PubChem CID84689622
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one
SMILESCC(N)C(=O)c1c(F)ccc2c1OCCO2
InChIInChI=1S/C11H12FNO3/c1-6(13)10(14)9-7(12)2-3-8-11(9)16-5-4-15-8/h2-3,6H,4-5,13H2,1H3
InChIKeyNRDWLKVKAHDPMG-UHFFFAOYSA-N
XLogP1.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid
CID 117324699
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
CID 84669836
methyl 2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-hydroxyacetate
CID 117393530
3-amino-3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propanoic acid
CID 117390640
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-amino-1-(4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 84674987
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 84675883
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117322810

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one (CID 84689622) is 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one is CC(N)C(=O)c1c(F)ccc2c1OCCO2.
What is the InChIKey of 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one?
The InChIKey is NRDWLKVKAHDPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-6(13)10(14)9-7(12)2-3-8-11(9)16-5-4-15-8/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one?
2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one has a molecular weight of 225.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one is sourced from PubChem (CID 84689622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).