1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone

C14H19F2NO2 — CID 63698278

IUPAC1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
SMILESCCOCCN(CC)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c1-3-17(8-9-19-4-2)10-13(18)14-11(15)6-5-7-12(14)16/h5-7H,3-4,8-10H2,1-2H3
InChIKeyXOHXWPHTVLUTMA-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.51
Rot. Bonds8

About 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone

1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone (PubChem CID 63698278) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
PubChem CID63698278
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
SMILESCCOCCN(CC)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c1-3-17(8-9-19-4-2)10-13(18)14-11(15)6-5-7-12(14)16/h5-7H,3-4,8-10H2,1-2H3
InChIKeyXOHXWPHTVLUTMA-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
CID 63696521
1-(2,4-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63696697
2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63696690
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 61437544
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 114058464
1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
CID 43796826
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone (CID 63698278) is 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone is CCOCCN(CC)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone?
The InChIKey is XOHXWPHTVLUTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-17(8-9-19-4-2)10-13(18)14-11(15)6-5-7-12(14)16/h5-7H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone?
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone has a molecular weight of 271.31 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone is sourced from PubChem (CID 63698278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).