1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone

C13H15F4NO — CID 55138272

IUPAC1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C13H15F4NO/c1-2-7-18(9-13(15,16)17)8-12(19)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyISSKUXYNQNPTDG-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.28
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone

1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55138272) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55138272
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C13H15F4NO/c1-2-7-18(9-13(15,16)17)8-12(19)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyISSKUXYNQNPTDG-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]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-(3-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010701
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937
2-(dipropylamino)-1-(4-phenylphenyl)ethanone
CID 82051052
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030928
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520564
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55010595
2-[benzyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62114939
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
1-(3-bromophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62612328

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55138272) is 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is CCCN(CC(=O)c1ccc(F)cc1)CC(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is ISSKUXYNQNPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-2-7-18(9-13(15,16)17)8-12(19)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 277.26 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55138272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).