3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one

C11H11F2NO2 — CID 84791240

IUPAC3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESNCCC(=O)c1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C11H11F2NO2/c12-7-5-9-6(2-4-16-9)11(13)10(7)8(15)1-3-14/h5H,1-4,14H2
InChIKeyACDMSSCBTQBODO-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.43
Rot. Bonds3

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

3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one (PubChem CID 84791240) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
PubChem CID84791240
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESNCCC(=O)c1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C11H11F2NO2/c12-7-5-9-6(2-4-16-9)11(13)10(7)8(15)1-3-14/h5H,1-4,14H2
InChIKeyACDMSSCBTQBODO-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
3-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-one
CID 117322870
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
CID 84812515
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84782675
3-amino-1-(3,4,5-trifluorophenyl)propan-1-one
CID 131141781
2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 84792628
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 118132812

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one (CID 84791240) is 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one is NCCC(=O)c1c(F)cc2c(c1F)CCO2.
What is the InChIKey of 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The InChIKey is ACDMSSCBTQBODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-7-5-9-6(2-4-16-9)11(13)10(7)8(15)1-3-14/h5H,1-4,14H2.
What are the key properties of 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one has a molecular weight of 227.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one is sourced from PubChem (CID 84791240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).