2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone

C16H23F2NO — CID 43227933

IUPAC2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H23F2NO/c1-3-5-10-19(11-6-4-2)12-15(20)16-13(17)8-7-9-14(16)18/h7-9H,3-6,10-12H2,1-2H3
InChIKeyVYVDJOAIJFAIBE-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.05
Rot. Bonds9

About 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone

2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone (PubChem CID 43227933) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
PubChem CID43227933
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H23F2NO/c1-3-5-10-19(11-6-4-2)12-15(20)16-13(17)8-7-9-14(16)18/h7-9H,3-6,10-12H2,1-2H3
InChIKeyVYVDJOAIJFAIBE-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796028
N-(2-bromoethyl)-N-butyl-2,6-difluorobenzamide
CID 80658889
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 61437544
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
1-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
CID 43796826
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204
2-(dibutylamino)-1-(4-methylphenyl)ethanone
CID 43219615
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62050932
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone (CID 43227933) is 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone is CCCCN(CCCC)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone?
The InChIKey is VYVDJOAIJFAIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-5-10-19(11-6-4-2)12-15(20)16-13(17)8-7-9-14(16)18/h7-9H,3-6,10-12H2,1-2H3.
What are the key properties of 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone?
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone has a molecular weight of 283.36 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 43227933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).