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

C10H9F4NO — CID 84698309

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO/c1-15-5-9(16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4,15H,5H2,1H3
InChIKeyRNIPJWYQNKTKMN-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.25
Rot. Bonds3

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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 84698309) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
PubChem CID84698309
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F4NO/c1-15-5-9(16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4,15H,5H2,1H3
InChIKeyRNIPJWYQNKTKMN-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)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

2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
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]-2-methyl-2-(methylamino)propan-1-one
CID 107290953
1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone
CID 117286820
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
1-cyclopropyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 67614021
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291094

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone (CID 84698309) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is RNIPJWYQNKTKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-15-5-9(16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4,15H,5H2,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 235.18 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 84698309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).