1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one

C11H13F2NO2 — CID 105412017

IUPAC1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one
SMILESNCCOCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c12-9-3-8(4-10(13)6-9)5-11(15)7-16-2-1-14/h3-4,6H,1-2,5,7,14H2
InChIKeyHGOSOCCRRZFJDA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.05
Rot. Bonds6

About 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one

1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one (PubChem CID 105412017) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one
PubChem CID105412017
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one
SMILESNCCOCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c12-9-3-8(4-10(13)6-9)5-11(15)7-16-2-1-14/h3-4,6H,1-2,5,7,14H2
InChIKeyHGOSOCCRRZFJDA-UHFFFAOYSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
CID 79566603
1-(2-aminoethoxy)-3-(3-hydroxyphenyl)propan-2-one
CID 116590839
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(2-aminoethoxy)-3-thiophen-3-ylpropan-2-one
CID 116591013
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591045
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
7-amino-1-(3,5-difluorophenyl)-5,5-dimethylheptan-2-one
CID 105411953
(2S)-2-amino-5-(3,5-difluorophenyl)-4-oxopentanal
CID 174436705
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(2-aminoethoxy)butan-2-one
CID 116590811

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one (CID 105412017) is 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one is NCCOCC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one?
The InChIKey is HGOSOCCRRZFJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-9-3-8(4-10(13)6-9)5-11(15)7-16-2-1-14/h3-4,6H,1-2,5,7,14H2.
What are the key properties of 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one?
1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one has a molecular weight of 229.23 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 105412017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).