1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone

C11H12F3NO2 — CID 117369605

IUPAC1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(OC)cccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15-6-8(16)10-7(11(12,13)14)4-3-5-9(10)17-2/h3-5,15H,6H2,1-2H3
InChIKeyAHZXGIARJCMZSJ-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone

1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117369605) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
PubChem CID117369605
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(OC)cccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15-6-8(16)10-7(11(12,13)14)4-3-5-9(10)17-2/h3-5,15H,6H2,1-2H3
InChIKeyAHZXGIARJCMZSJ-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethyl)-6-methoxyphenyl]-2-(methylamino)ethanone
CID 117330007
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone
CID 163765835
1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117463599
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543
N-[2-methoxy-6-[2-(methylamino)acetyl]phenyl]acetamide
CID 105497642
1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117435412
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117108344
1-[2,6-bis(trifluoromethyl)phenyl]-3-phosphanylpropan-1-one
CID 87923743
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
2-chloro-1-[2-chloro-3-methoxy-6-(trifluoromethyl)phenyl]ethanone
CID 171030166

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone (CID 117369605) is 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1c(OC)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is AHZXGIARJCMZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-15-6-8(16)10-7(11(12,13)14)4-3-5-9(10)17-2/h3-5,15H,6H2,1-2H3.
What are the key properties of 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 247.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117369605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).