1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

C14H17F2NO2 — CID 43797360

IUPAC1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)c2c(F)cccc2F)CCO1
InChIInChI=1S/C14H17F2NO2/c1-14(2)9-17(6-7-19-14)8-12(18)13-10(15)4-3-5-11(13)16/h3-5H,6-9H2,1-2H3
InChIKeyQAJRTGZXYFDIHD-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.26
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (PubChem CID 43797360) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
PubChem CID43797360
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)c2c(F)cccc2F)CCO1
InChIInChI=1S/C14H17F2NO2/c1-14(2)9-17(6-7-19-14)8-12(18)13-10(15)4-3-5-11(13)16/h3-5H,6-9H2,1-2H3
InChIKeyQAJRTGZXYFDIHD-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43797424
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
N-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592397
1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797361
1-(2,6-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 55153158
1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025506
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
2-(2,2-dimethylmorpholin-4-yl)-6-fluorobenzenecarbothioamide
CID 79513878
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
N-(2-carbamothioylphenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592815
3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43593001
1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587713

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (CID 43797360) is 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is CC1(C)CN(CC(=O)c2c(F)cccc2F)CCO1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The InChIKey is QAJRTGZXYFDIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-14(2)9-17(6-7-19-14)8-12(18)13-10(15)4-3-5-11(13)16/h3-5H,6-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone has a molecular weight of 269.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).