1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone

C11H12F3NO2 — CID 116588593

IUPAC1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOc1cccc(C(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(5-9)10(16)6-15-7-11(12,13)14/h2-5,15H,6-7H2,1H3
InChIKeyYKWOMGGZVMSWJJ-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.03
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 116588593) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID116588593
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOc1cccc(C(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(5-9)10(16)6-15-7-11(12,13)14/h2-5,15H,6-7H2,1H3
InChIKeyYKWOMGGZVMSWJJ-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
N-[2-(3-methoxyphenyl)-2-oxoethyl]formamide
CID 87584613
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
CID 3062444
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 116588593) is 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone is COc1cccc(C(=O)CNCC(F)(F)F)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is YKWOMGGZVMSWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(5-9)10(16)6-15-7-11(12,13)14/h2-5,15H,6-7H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 247.22 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 116588593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).