1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone

C13H17F2NO2 — CID 54948866

IUPAC1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
SMILESCCN(CCOC)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-3-16(6-7-18-2)9-13(17)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyOGZDVZCKZVHDEM-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.12
Rot. Bonds7

About 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone

1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone (PubChem CID 54948866) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
PubChem CID54948866
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
SMILESCCN(CCOC)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-3-16(6-7-18-2)9-13(17)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyOGZDVZCKZVHDEM-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
1-(3,4-difluorophenyl)-4-methoxybutan-1-one
CID 62622615
2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone
CID 96659527
2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 60680853
1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 60679019
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
methyl 3-(3,4-difluorophenyl)-3-oxopropanoate
CID 79023808
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone (CID 54948866) is 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone is CCN(CCOC)CC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
The InChIKey is OGZDVZCKZVHDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-16(6-7-18-2)9-13(17)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone has a molecular weight of 257.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone is sourced from PubChem (CID 54948866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).