2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone

C17H23F2NO — CID 79062448

IUPAC2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
SMILESCC1CCCC(C(=O)Cc2ccc(F)cc2F)(N(C)C)C1
InChIInChI=1S/C17H23F2NO/c1-12-5-4-8-17(11-12,20(2)3)16(21)9-13-6-7-14(18)10-15(13)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyAEISUAZKOYVZGY-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.59
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone

2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone (PubChem CID 79062448) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
PubChem CID79062448
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
SMILESCC1CCCC(C(=O)Cc2ccc(F)cc2F)(N(C)C)C1
InChIInChI=1S/C17H23F2NO/c1-12-5-4-8-17(11-12,20(2)3)16(21)9-13-6-7-14(18)10-15(13)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyAEISUAZKOYVZGY-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanone
CID 79062774
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
2-(2,5-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066487
2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749232
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
1-[1-(dimethylamino)cycloheptyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347296
[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 79704310
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79074745
2-(4-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79064667
1-[[(2,4-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61211353

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone (CID 79062448) is 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone is CC1CCCC(C(=O)Cc2ccc(F)cc2F)(N(C)C)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
The InChIKey is AEISUAZKOYVZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-12-5-4-8-17(11-12,20(2)3)16(21)9-13-6-7-14(18)10-15(13)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone?
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone has a molecular weight of 295.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone is sourced from PubChem (CID 79062448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).