1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one

C12H15F2NO2 — CID 114935457

IUPAC1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-17-6-5-15-8-9(16)7-10-11(13)3-2-4-12(10)14/h2-4,15H,5-8H2,1H3
InChIKeyFWVOYCVXEFHFGJ-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.31
Rot. Bonds7

About 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one

1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 114935457) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID114935457
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-17-6-5-15-8-9(16)7-10-11(13)3-2-4-12(10)14/h2-4,15H,5-8H2,1H3
InChIKeyFWVOYCVXEFHFGJ-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.31
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-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 106272689
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119722593
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114863460
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
CID 116591504
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591470
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47329826
2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347760
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one (CID 114935457) is 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one is COCCNCC(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is FWVOYCVXEFHFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-17-6-5-15-8-9(16)7-10-11(13)3-2-4-12(10)14/h2-4,15H,5-8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 243.25 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 114935457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).