2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone

C11H11F4NO — CID 107290933

IUPAC2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
SMILESCCNCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c1-2-16-6-10(17)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,2,6H2,1H3
InChIKeyQULLKKYMWFFEGJ-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.64
Rot. Bonds4

About 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone

2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 107290933) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
PubChem CID107290933
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
SMILESCCNCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO/c1-2-16-6-10(17)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,2,6H2,1H3
InChIKeyQULLKKYMWFFEGJ-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114961945
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258
dimethyl 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]propanedioate
CID 137473779
methyl 5-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxopentanoate
CID 146008716
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114969279
1-cyclopropyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 67614021
[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119647539
2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967621
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291094

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone (CID 107290933) is 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone is CCNCC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is QULLKKYMWFFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c1-2-16-6-10(17)7-3-4-9(12)8(5-7)11(13,14)15/h3-5,16H,2,6H2,1H3.
What are the key properties of 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 249.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 107290933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).