2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone

C12H14F3NO2 — CID 116591610

IUPAC2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOCCNCC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-18-7-6-16-8-11(17)9-4-2-3-5-10(9)12(13,14)15/h2-5,16H,6-8H2,1H3
InChIKeyFEYNEKDWYBPHIK-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone

2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 116591610) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID116591610
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOCCNCC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-18-7-6-16-8-11(17)9-4-2-3-5-10(9)12(13,14)15/h2-5,16H,6-8H2,1H3
InChIKeyFEYNEKDWYBPHIK-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.12
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

2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 83036718
methyl 2-(trifluoromethyl)benzoate
CID 2775578
3,3-dimethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 113318830
N-cyclopentyl-2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 119776404
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 108808081
4-ethoxy-1-[2-(trifluoromethyl)phenyl]butan-1-one
CID 105098073

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone (CID 116591610) is 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone is COCCNCC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FEYNEKDWYBPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-18-7-6-16-8-11(17)9-4-2-3-5-10(9)12(13,14)15/h2-5,16H,6-8H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone?
2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 261.24 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116591610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).